 Entering Gaussian System, Link 0=g16
 Input=28_pantolactone_Chair_STD_B3LYPDBJ-def2SVPDr.in
 Output=28_pantolactone_Chair_STD_B3LYPDBJ-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2SVPD/28_pantolactone_Chair_STD/Gau-5807.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2SVPD/28_pantolactone_Chair_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      5810.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=28_pantolactone_Chair_STD_B3LYPDBJ-def2SVPDr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 16 13:10:02 2021, MaxMem=  5637144576 cpu:               1.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "28_pantolactone_Chair_STD_B3LYPDBJ-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.391473000000     -0.248303000000     -0.123357000000
  C                                                -0.243522000000      0.655863000000     -0.542507000000
  C                                                 0.981653000000     -0.084895000000      0.017922000000
  C                                                 0.496618000000     -1.529573000000     -0.204524000000
  O                                                -0.939721000000     -1.510078000000      0.006228000000
  O                                                -2.521298000000      0.090990000000      0.087826000000
  O                                                -0.412527000000      1.974539000000     -0.102863000000
  H                                                -0.197683000000      0.620961000000     -1.642905000000
  H                                                 0.917744000000     -2.241771000000      0.501987000000
  H                                                 0.687270000000     -1.873494000000     -1.223519000000
  H                                                -1.358566000000      2.100303000000      0.062355000000
  C                                                 1.149948000000      0.199957000000      1.512528000000
  C                                                 2.267170000000      0.215237000000     -0.742530000000
  H                                                 0.252859000000     -0.059462000000      2.077615000000
  H                                                 1.351897000000      1.256730000000      1.677591000000
  H                                                 1.982205000000     -0.382220000000      1.911899000000
  H                                                 2.149353000000      0.028869000000     -1.811924000000
  H                                                 3.090365000000     -0.403337000000     -0.378159000000
  H                                                 2.550560000000      1.260108000000     -0.609664000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          16          16           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=           1          12          12           1           1           1           1           1           1
 AtmWgt=   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           0           0           1           1           1           1           1           1
 AtZEff=   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Jul 16 13:10:03 2021, MaxMem=  5637144576 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.391473   -0.248303   -0.123357
      2          6           0       -0.243522    0.655863   -0.542507
      3          6           0        0.981653   -0.084895    0.017922
      4          6           0        0.496618   -1.529573   -0.204524
      5          8           0       -0.939721   -1.510078    0.006228
      6          8           0       -2.521298    0.090990    0.087826
      7          8           0       -0.412527    1.974539   -0.102863
      8          1           0       -0.197683    0.620961   -1.642905
      9          1           0        0.917744   -2.241771    0.501987
     10          1           0        0.687270   -1.873494   -1.223519
     11          1           0       -1.358566    2.100303    0.062355
     12          6           0        1.149948    0.199957    1.512528
     13          6           0        2.267170    0.215237   -0.742530
     14          1           0        0.252859   -0.059462    2.077615
     15          1           0        1.351897    1.256730    1.677591
     16          1           0        1.982205   -0.382220    1.911899
     17          1           0        2.149353    0.028869   -1.811924
     18          1           0        3.090365   -0.403337   -0.378159
     19          1           0        2.550560    1.260108   -0.609664
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.520196   0.000000
     3  C    2.382937   1.537484   0.000000
     4  C    2.283228   2.331988   1.540077   0.000000
     5  O    1.346458   2.340321   2.392271   1.451849   0.000000
     6  O    1.198425   2.429952   3.508060   3.437951   2.251991
     7  O    2.428947   1.400270   2.489899   3.621558   3.525959
     8  H    2.118910   1.101905   2.155786   2.678767   2.794922
     9  H    3.114073   3.291776   2.211451   1.087994   2.057019
    10  H    2.858807   2.779892   2.197026   1.092237   2.071581
    11  H    2.356167   1.922391   3.202138   4.085209   3.635029
    12  C    3.055467   2.524436   1.530788   2.523169   3.091905
    13  C    3.739507   2.556899   1.523457   2.543357   3.717728
    14  H    2.753864   2.761000   2.184977   2.725583   2.795922
    15  H    3.610349   2.799150   2.165996   3.469487   3.962347
    16  H    3.942322   3.472115   2.162558   2.828893   3.666237
    17  H    3.932624   2.780358   2.173661   2.782806   3.900822
    18  H    4.491751   3.501959   2.169090   2.833034   4.196930
    19  H    4.248697   2.859461   2.159714   3.487856   4.498368
                    6          7          8          9         10
     6  O    0.000000
     7  O    2.833908   0.000000
     8  H    2.945418   2.061568   0.000000
     9  H    4.176160   4.462369   3.746995   0.000000
    10  H    3.984185   4.156054   2.679801   1.779359   0.000000
    11  H    2.321623   0.968557   2.538506   4.922242   4.650804
    12  C    3.939505   2.863557   3.456893   2.652762   3.463989
    13  C    4.861518   3.268806   2.655332   3.067028   2.662749
    14  H    3.417286   3.055222   3.808967   2.772571   3.791690
    15  H    4.346026   2.607385   3.719018   3.716187   4.319314
    16  H    4.881876   3.917693   4.288929   2.564929   3.705617
    17  H    5.042607   3.642767   2.426462   3.467975   2.470403
    18  H    5.652633   4.242680   3.668791   2.979057   2.941235
    19  H    5.251388   3.089845   3.004819   4.020574   3.697043
                   11         12         13         14         15
    11  H    0.000000
    12  C    3.465106   0.000000
    13  C    4.165006   2.516685   0.000000
    14  H    3.364899   1.091508   3.476511   0.000000
    15  H    3.266070   1.088484   2.789161   1.760757   0.000000
    16  H    4.554611   1.091366   2.735718   1.766995   1.771538
    17  H    4.484335   3.475638   1.091887   4.328164   3.784216
    18  H    5.123988   2.775586   1.092268   3.768357   3.162942
    19  H    4.054479   2.754874   1.090742   3.773879   2.582313
                   16         17         18         19
    16  H    0.000000
    17  H    3.750172   0.000000
    18  H    2.544176   1.768612   0.000000
    19  H    3.062442   1.767016   1.764096   0.000000
 Stoichiometry    C6H10O3
 Framework group  C1[X(C6H10O3)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.50D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.391473   -0.248303   -0.123357
      2          6           0       -0.243522    0.655863   -0.542507
      3          6           0        0.981653   -0.084895    0.017922
      4          6           0        0.496618   -1.529573   -0.204524
      5          8           0       -0.939721   -1.510078    0.006228
      6          8           0       -2.521298    0.090990    0.087826
      7          8           0       -0.412527    1.974539   -0.102863
      8          1           0       -0.197683    0.620961   -1.642905
      9          1           0        0.917744   -2.241771    0.501987
     10          1           0        0.687270   -1.873494   -1.223519
     11          1           0       -1.358566    2.100303    0.062355
     12          6           0        1.149948    0.199957    1.512528
     13          6           0        2.267170    0.215237   -0.742530
     14          1           0        0.252859   -0.059462    2.077615
     15          1           0        1.351897    1.256730    1.677591
     16          1           0        1.982205   -0.382220    1.911899
     17          1           0        2.149353    0.028869   -1.811924
     18          1           0        3.090365   -0.403337   -0.378159
     19          1           0        2.550560    1.260108   -0.609664
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.4218185           1.5727158           1.2192347
 Leave Link  202 at Fri Jul 16 13:10:03 2021, MaxMem=  5637144576 cpu:               1.6 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     11     14     15     16     17     18     19
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4     12     13
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      6      7
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   287 symmetry adapted cartesian basis functions of A   symmetry.
 There are   269 symmetry adapted basis functions of A   symmetry.
   269 basis functions,   397 primitive gaussians,   287 cartesian basis functions
    35 alpha electrons       35 beta electrons
       nuclear repulsion energy       497.2901348258 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0311939334 Hartrees.
 Nuclear repulsion after empirical dispersion term =      497.2589408924 Hartrees.
 Leave Link  301 at Fri Jul 16 13:10:05 2021, MaxMem=  5637144576 cpu:               5.9 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   269 RedAO= T EigKep=  1.60D-05  NBF=   269
 NBsUse=   269 1.00D-06 EigRej= -1.00D+00 NBFU=   269
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   287   287   287   287   287 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Fri Jul 16 13:10:07 2021, MaxMem=  5637144576 cpu:              14.2 elap:               2.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 16 13:10:08 2021, MaxMem=  5637144576 cpu:               2.6 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "28_pantolactone_Chair_STD_B3LYPDBJ-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 16 13:10:11 2021, MaxMem=  5637144576 cpu:              16.7 elap:               2.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636974675 LenY=  5636891865
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -460.059128293249    
 DIIS: error= 3.69D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -460.059128293249     IErMin= 1 ErrMin= 3.69D-03
 ErrMax= 3.69D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.67D-03 BMatP= 9.67D-03
 IDIUse=3 WtCom= 9.63D-01 WtEn= 3.69D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.274 Goal=   None    Shift=    0.000
 GapD=    0.274 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.20D-02 MaxDP=1.72D+00              OVMax= 1.75D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.05D-02    CP:  1.25D+00
 E= -460.067365804913     Delta-E=       -0.008237511664 Rises=F Damp=F
 DIIS: error= 8.49D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -460.067365804913     IErMin= 2 ErrMin= 8.49D-04
 ErrMax= 8.49D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.21D-04 BMatP= 9.67D-03
 IDIUse=3 WtCom= 9.92D-01 WtEn= 8.49D-03
 Coeff-Com:  0.848D-01 0.915D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.841D-01 0.916D+00
 Gap=     0.275 Goal=   None    Shift=    0.000
 RMSDP=6.18D-04 MaxDP=9.50D-02 DE=-8.24D-03 OVMax= 7.90D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.05D-04    CP:  1.26D+00  1.04D+00
 E= -460.067130136744     Delta-E=        0.000235668169 Rises=F Damp=F
 DIIS: error= 1.15D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -460.067365804913     IErMin= 2 ErrMin= 8.49D-04
 ErrMax= 1.15D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.00D-03 BMatP= 6.21D-04
 IDIUse=3 WtCom= 2.28D-01 WtEn= 7.72D-01
 Coeff-Com: -0.143D-01 0.564D+00 0.450D+00
 Coeff-En:   0.000D+00 0.587D+00 0.413D+00
 Coeff:     -0.325D-02 0.582D+00 0.421D+00
 Gap=     0.272 Goal=   None    Shift=    0.000
 RMSDP=1.50D-04 MaxDP=5.73D-03 DE= 2.36D-04 OVMax= 4.22D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.03D-04    CP:  1.26D+00  1.04D+00  6.49D-01
 E= -460.067838730975     Delta-E=       -0.000708594231 Rises=F Damp=F
 DIIS: error= 1.42D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -460.067838730975     IErMin= 4 ErrMin= 1.42D-04
 ErrMax= 1.42D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.38D-05 BMatP= 6.21D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.42D-03
 Coeff-Com: -0.104D-01 0.273D+00 0.216D+00 0.521D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.103D-01 0.273D+00 0.216D+00 0.522D+00
 Gap=     0.273 Goal=   None    Shift=    0.000
 RMSDP=4.56D-05 MaxDP=4.04D-03 DE=-7.09D-04 OVMax= 6.68D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  3.54D-05    CP:  1.26D+00  1.04D+00  6.11D-01  8.95D-01
 E= -460.067851220127     Delta-E=       -0.000012489152 Rises=F Damp=F
 DIIS: error= 3.03D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -460.067851220127     IErMin= 5 ErrMin= 3.03D-05
 ErrMax= 3.03D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.48D-07 BMatP= 1.38D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.299D-02 0.617D-01 0.504D-01 0.206D+00 0.685D+00
 Coeff:     -0.299D-02 0.617D-01 0.504D-01 0.206D+00 0.685D+00
 Gap=     0.273 Goal=   None    Shift=    0.000
 RMSDP=1.28D-05 MaxDP=1.19D-03 DE=-1.25D-05 OVMax= 2.83D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  8.60D-06    CP:  1.26D+00  1.04D+00  6.19D-01  9.02D-01  8.94D-01
 E= -460.067851544188     Delta-E=       -0.000000324060 Rises=F Damp=F
 DIIS: error= 3.20D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -460.067851544188     IErMin= 5 ErrMin= 3.03D-05
 ErrMax= 3.20D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.67D-07 BMatP= 6.48D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.681D-03 0.619D-02 0.627D-02 0.715D-01 0.467D+00 0.450D+00
 Coeff:     -0.681D-03 0.619D-02 0.627D-02 0.715D-01 0.467D+00 0.450D+00
 Gap=     0.273 Goal=   None    Shift=    0.000
 RMSDP=3.60D-06 MaxDP=1.82D-04 DE=-3.24D-07 OVMax= 2.06D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.54D-06    CP:  1.26D+00  1.04D+00  6.20D-01  9.11D-01  9.07D-01
                    CP:  7.55D-01
 E= -460.067851811043     Delta-E=       -0.000000266855 Rises=F Damp=F
 DIIS: error= 6.70D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -460.067851811043     IErMin= 7 ErrMin= 6.70D-06
 ErrMax= 6.70D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.29D-08 BMatP= 3.67D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.729D-04-0.276D-02-0.164D-02 0.177D-01 0.197D+00 0.259D+00
 Coeff-Com:  0.531D+00
 Coeff:     -0.729D-04-0.276D-02-0.164D-02 0.177D-01 0.197D+00 0.259D+00
 Coeff:      0.531D+00
 Gap=     0.273 Goal=   None    Shift=    0.000
 RMSDP=1.35D-06 MaxDP=4.03D-05 DE=-2.67D-07 OVMax= 5.44D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  9.62D-07    CP:  1.26D+00  1.04D+00  6.21D-01  9.14D-01  9.19D-01
                    CP:  6.79D-01  8.36D-01
 E= -460.067851827913     Delta-E=       -0.000000016870 Rises=F Damp=F
 DIIS: error= 1.86D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -460.067851827913     IErMin= 8 ErrMin= 1.86D-06
 ErrMax= 1.86D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.48D-09 BMatP= 2.29D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.223D-04-0.204D-02-0.149D-02 0.187D-02 0.593D-01 0.951D-01
 Coeff-Com:  0.306D+00 0.541D+00
 Coeff:      0.223D-04-0.204D-02-0.149D-02 0.187D-02 0.593D-01 0.951D-01
 Coeff:      0.306D+00 0.541D+00
 Gap=     0.273 Goal=   None    Shift=    0.000
 RMSDP=4.35D-07 MaxDP=1.65D-05 DE=-1.69D-08 OVMax= 1.12D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.26D-07    CP:  1.26D+00  1.04D+00  6.20D-01  9.14D-01  9.22D-01
                    CP:  6.82D-01  8.06D-01  8.05D-01
 E= -460.067851829870     Delta-E=       -0.000000001957 Rises=F Damp=F
 DIIS: error= 4.76D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -460.067851829870     IErMin= 9 ErrMin= 4.76D-07
 ErrMax= 4.76D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.46D-10 BMatP= 2.48D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.194D-04-0.800D-03-0.614D-03-0.766D-03 0.128D-01 0.245D-01
 Coeff-Com:  0.108D+00 0.263D+00 0.595D+00
 Coeff:      0.194D-04-0.800D-03-0.614D-03-0.766D-03 0.128D-01 0.245D-01
 Coeff:      0.108D+00 0.263D+00 0.595D+00
 Gap=     0.273 Goal=   None    Shift=    0.000
 RMSDP=1.30D-07 MaxDP=4.26D-06 DE=-1.96D-09 OVMax= 2.27D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  7.95D-08    CP:  1.26D+00  1.04D+00  6.20D-01  9.14D-01  9.22D-01
                    CP:  6.90D-01  8.22D-01  7.88D-01  8.18D-01
 E= -460.067851829980     Delta-E=       -0.000000000110 Rises=F Damp=F
 DIIS: error= 1.62D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -460.067851829980     IErMin=10 ErrMin= 1.62D-07
 ErrMax= 1.62D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.44D-11 BMatP= 1.46D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.634D-05-0.170D-03-0.136D-03-0.572D-03 0.353D-03 0.224D-02
 Coeff-Com:  0.235D-01 0.747D-01 0.289D+00 0.611D+00
 Coeff:      0.634D-05-0.170D-03-0.136D-03-0.572D-03 0.353D-03 0.224D-02
 Coeff:      0.235D-01 0.747D-01 0.289D+00 0.611D+00
 Gap=     0.273 Goal=   None    Shift=    0.000
 RMSDP=3.73D-08 MaxDP=3.85D-06 DE=-1.10D-10 OVMax= 5.88D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.71D-08    CP:  1.26D+00  1.04D+00  6.20D-01  9.14D-01  9.22D-01
                    CP:  6.90D-01  8.25D-01  7.96D-01  8.10D-01  8.10D-01
 E= -460.067851829978     Delta-E=        0.000000000002 Rises=F Damp=F
 DIIS: error= 2.85D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -460.067851829980     IErMin=11 ErrMin= 2.85D-08
 ErrMax= 2.85D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.99D-13 BMatP= 1.44D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.101D-05-0.113D-05-0.295D-05-0.189D-03-0.105D-02-0.142D-02
 Coeff-Com:  0.456D-03 0.744D-02 0.666D-01 0.254D+00 0.674D+00
 Coeff:      0.101D-05-0.113D-05-0.295D-05-0.189D-03-0.105D-02-0.142D-02
 Coeff:      0.456D-03 0.744D-02 0.666D-01 0.254D+00 0.674D+00
 Gap=     0.273 Goal=   None    Shift=    0.000
 RMSDP=1.06D-08 MaxDP=3.42D-07 DE= 1.93D-12 OVMax= 1.51D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  7.30D-09    CP:  1.26D+00  1.04D+00  6.20D-01  9.14D-01  9.22D-01
                    CP:  6.89D-01  8.25D-01  7.97D-01  8.24D-01  8.09D-01
                    CP:  7.99D-01
 E= -460.067851829994     Delta-E=       -0.000000000016 Rises=F Damp=F
 DIIS: error= 8.70D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -460.067851829994     IErMin=12 ErrMin= 8.70D-09
 ErrMax= 8.70D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.10D-14 BMatP= 7.99D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.163D-06 0.518D-05 0.376D-05-0.468D-04-0.382D-03-0.633D-03
 Coeff-Com: -0.808D-03-0.723D-03 0.106D-01 0.610D-01 0.235D+00 0.696D+00
 Coeff:      0.163D-06 0.518D-05 0.376D-05-0.468D-04-0.382D-03-0.633D-03
 Coeff:     -0.808D-03-0.723D-03 0.106D-01 0.610D-01 0.235D+00 0.696D+00
 Gap=     0.273 Goal=   None    Shift=    0.000
 RMSDP=2.39D-09 MaxDP=1.49D-07 DE=-1.60D-11 OVMax= 3.69D-08

 SCF Done:  E(RB3LYP) =  -460.067851830     A.U. after   12 cycles
            NFock= 12  Conv=0.24D-08     -V/T= 2.0101
 KE= 4.554748747206D+02 PE=-2.067265366385D+03 EE= 6.544636989421D+02
 Leave Link  502 at Fri Jul 16 13:11:53 2021, MaxMem=  5637144576 cpu:             811.5 elap:             102.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   269
 NBasis=   269 NAE=    35 NBE=    35 NFC=     0 NFV=     0
 NROrb=    269 NOA=    35 NOB=    35 NVA=   234 NVB=   234

 **** Warning!!: The largest alpha MO coefficient is  0.66707582D+02

 Leave Link  801 at Fri Jul 16 13:11:54 2021, MaxMem=  5637144576 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5754 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.37D-13 8.33D-09 XBig12= 1.00D+00 3.40D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.37D-13 8.33D-09 XBig12= 2.85D-01 9.56D-02.
     11 vectors produced by pass  2 Test12= 1.37D-13 8.33D-09 XBig12= 4.76D-02 3.91D-02.
     11 vectors produced by pass  3 Test12= 1.37D-13 8.33D-09 XBig12= 2.41D-03 7.76D-03.
     11 vectors produced by pass  4 Test12= 1.37D-13 8.33D-09 XBig12= 1.97D-04 3.09D-03.
     11 vectors produced by pass  5 Test12= 1.37D-13 8.33D-09 XBig12= 5.70D-06 5.37D-04.
     11 vectors produced by pass  6 Test12= 1.37D-13 8.33D-09 XBig12= 1.13D-07 4.96D-05.
     11 vectors produced by pass  7 Test12= 1.37D-13 8.33D-09 XBig12= 1.04D-09 4.01D-06.
     11 vectors produced by pass  8 Test12= 1.37D-13 8.33D-09 XBig12= 9.32D-12 2.81D-07.
      5 vectors produced by pass  9 Test12= 1.37D-13 8.33D-09 XBig12= 6.28D-14 3.47D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.49D-14
 Solved reduced A of dimension   104 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.924328D+02
      2 -0.440437D+01  0.804340D+02
      3 -0.184821D+01  0.835018D+00  0.729501D+02
 Isotropic polarizability for W=    0.085645       81.94 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.321170D+02  0.134882D+02  0.463835D+01
      2  -0.195015D+02 -0.635117D+01 -0.747935D+00
      3  -0.126155D+02 -0.713702D+01 -0.389041D+01
      4   0.304835D+01  0.475155D+02  0.525270D+00
      5   0.711277D+01  0.567979D+00  0.794774D+02
      6  -0.257446D+00  0.427699D+01 -0.296483D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.102624D+01 -0.161485D+01 -0.700876D+00
      2   0.388890D+01  0.101453D+01  0.344309D+02
      3  -0.141817D+02 -0.175695D+02 -0.222002D+00
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.427092D-01  0.502493D+01 -0.417219D+01
      2  -0.247442D+01  0.782716D+00  0.920928D+02
      3  -0.104398D+02 -0.670170D+02 -0.825425D+00
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.406940D+00 -0.249701D+00  0.189415D+01
      2  -0.249701D+00 -0.428442D+00 -0.108089D+01
      3   0.189415D+01 -0.108089D+01 -0.212212D+00
 OR G Eigenvalues:    -2.1150    -0.4356     2.3169  Iso=     0.0779
 Eigenvectors:
   (1)  -0.523646   0.403374   0.750389
   (2)   0.502385   0.857566  -0.110406
   (3)   0.688044  -0.319170   0.651710
 w=    0.085645 a.u., Optical Rotation Beta=      0.0779 au.
 Molar Mass =    130.1432 grams/mole, [Alpha] ( 5320.0 A) =       28.39 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   36315 ScalPx= 4.25D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   36315 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.67D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.28D-14 2.78D-09 XBig12= 1.00D+00 4.16D-01.
     30 vectors produced by pass  1 Test12= 2.28D-14 2.78D-09 XBig12= 4.99D-02 5.81D-02.
     30 vectors produced by pass  2 Test12= 2.28D-14 2.78D-09 XBig12= 1.12D-03 4.81D-03.
     30 vectors produced by pass  3 Test12= 2.28D-14 2.78D-09 XBig12= 1.85D-05 8.60D-04.
     30 vectors produced by pass  4 Test12= 2.28D-14 2.78D-09 XBig12= 1.57D-07 5.10D-05.
     30 vectors produced by pass  5 Test12= 2.28D-14 2.78D-09 XBig12= 6.58D-10 2.82D-06.
     30 vectors produced by pass  6 Test12= 2.28D-14 2.78D-09 XBig12= 1.51D-12 1.35D-07.
      2 vectors produced by pass  7 Test12= 2.28D-14 2.78D-09 XBig12= 2.01D-15 4.15D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.22D-15
 Solved reduced A of dimension   212 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   36315 ScalPx= 1.64D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   36315 ScalPx= 1.64D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   36315 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.47D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.924328D+02 -0.440437D+01 -0.184821D+01
      2  -0.440437D+01  0.804340D+02  0.835018D+00
      3  -0.184821D+01  0.835018D+00  0.729501D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.102624D+01 -0.161485D+01 -0.700876D+00
      2   0.388890D+01  0.101453D+01  0.344309D+02
      3  -0.141817D+02 -0.175695D+02 -0.222002D+00
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.321170D+02  0.134882D+02  0.463835D+01
      2  -0.195015D+02 -0.635117D+01 -0.747935D+00
      3  -0.126155D+02 -0.713702D+01 -0.389041D+01
      4   0.304835D+01  0.475155D+02  0.525270D+00
      5   0.711277D+01  0.567979D+00  0.794774D+02
      6  -0.257446D+00  0.427699D+01 -0.296483D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.804725D+01 -0.244538D+01 -0.487032D+00 -0.189621D+01 -0.160556D+01
      2  -0.244538D+01  0.827170D+00  0.792957D-01 -0.160556D+01  0.491370D+00
      3  -0.487032D+00  0.792957D-01  0.207346D+00  0.261283D+00  0.494870D-01
                 6             7             8             9            10 
      1   0.261283D+00 -0.176720D+01 -0.692807D-01  0.248387D+00 -0.358345D+01
      2   0.494870D-01 -0.692807D-01 -0.694638D+00 -0.295666D+00  0.250155D+01
      3  -0.715593D+00  0.248387D+00 -0.295666D+00 -0.817915D+00 -0.124880D+01
                11            12            13            14            15 
      1   0.250155D+01 -0.124880D+01  0.330627D+01  0.467390D+00 -0.135709D+00
      2  -0.788035D-01  0.851816D-01  0.467390D+00 -0.123614D+01 -0.177599D+00
      3   0.851816D-01 -0.786587D+00 -0.135709D+00 -0.177599D+00  0.212964D+01
                16            17            18            19            20 
      1  -0.846629D+00  0.741993D+00 -0.863719D+00  0.236563D+01 -0.191906D+01
      2   0.741993D+00 -0.103770D+01  0.795719D+00 -0.191906D+01  0.314455D+01
      3  -0.863719D+00  0.795719D+00  0.757516D+01  0.349666D+01  0.122588D+00
                21            22            23            24            25 
      1   0.349666D+01 -0.212042D+01  0.274018D+01 -0.168830D+00  0.403966D+01
      2   0.122588D+00  0.274018D+01  0.327735D+01  0.154197D+01 -0.371991D-01
      3  -0.614756D+00 -0.168830D+00  0.154197D+01 -0.194452D+01 -0.600037D+00
                26            27            28            29            30 
      1  -0.371991D-01 -0.600037D+00  0.224502D+01  0.499903D+00 -0.120508D+01
      2   0.116644D+01 -0.184988D+01  0.499903D+00 -0.284229D+01 -0.157152D+00
      3  -0.184988D+01 -0.674775D+01 -0.120508D+01 -0.157152D+00 -0.249901D+01
                31            32            33            34            35 
      1  -0.106640D+00 -0.281950D+01  0.510436D+00 -0.961613D+00  0.203009D+00
      2  -0.281950D+01 -0.910758D+00 -0.137876D+01  0.203009D+00 -0.128745D+01
      3   0.510436D+00 -0.137876D+01  0.250773D+01 -0.175297D+01  0.395916D+01
                36            37            38            39            40 
      1  -0.175297D+01 -0.392283D+01 -0.233262D+01  0.341101D+00 -0.183199D+01
      2   0.395916D+01 -0.233262D+01 -0.834994D+00  0.320316D+00 -0.290645D+00
      3   0.396384D+01  0.341101D+00  0.320316D+00  0.679921D+00 -0.249112D+00
                41            42            43            44            45 
      1  -0.290645D+00 -0.249112D+00  0.637982D+00  0.228911D+00 -0.562485D+00
      2  -0.552160D+01  0.532615D+00  0.228911D+00  0.668187D+00 -0.149762D+01
      3   0.532615D+00 -0.810181D+00 -0.562485D+00 -0.149762D+01  0.612945D+00
                46            47            48            49            50 
      1  -0.175700D+02  0.252301D+01  0.943686D+00  0.200559D+01 -0.288534D+01
      2   0.252301D+01 -0.368949D+01 -0.177570D+00 -0.288534D+01  0.239536D+01
      3   0.943686D+00 -0.177570D+00 -0.205459D+01 -0.158410D+00  0.318507D+00
                51            52            53            54            55 
      1  -0.158410D+00  0.225165D+01 -0.178727D+00 -0.364005D+01  0.394489D+01
      2   0.318507D+00 -0.178727D+00  0.721674D+00  0.779689D+00 -0.433144D+00
      3   0.795248D+00 -0.364005D+01  0.779689D+00  0.123586D+01  0.533454D-01
                56            57            58            59            60 
      1  -0.433144D+00  0.533454D-01 -0.371329D+00  0.367567D-01  0.375354D+00
      2   0.390191D+01  0.268097D+00  0.367567D-01  0.601063D+01 -0.437651D+00
      3   0.268097D+00  0.106275D+01  0.375354D+00 -0.437651D+00 -0.552277D+00
                61            62            63            64            65 
      1  -0.814944D+00  0.554463D-02  0.400344D+00  0.896152D+00 -0.353054D+00
      2   0.554463D-02 -0.225563D-01  0.106517D+01 -0.353054D+00 -0.139635D+00
      3   0.400344D+00  0.106517D+01 -0.377055D+00 -0.111391D+01  0.637421D-01
                66            67            68            69            70 
      1  -0.111391D+01 -0.511978D+00 -0.216561D+00  0.420013D-01 -0.183548D+01
      2   0.637421D-01 -0.216561D+00  0.476366D+00 -0.128830D+01  0.276958D-01
      3   0.342167D+00  0.420013D-01 -0.128830D+01 -0.204980D+00  0.152924D+00
                71            72            73            74            75 
      1   0.276958D-01  0.152924D+00  0.173842D+01 -0.175106D+01  0.118186D+01
      2  -0.171258D+01  0.379487D+00 -0.175106D+01  0.243681D+01 -0.759120D+00
      3   0.379487D+00 -0.958061D+01  0.118186D+01 -0.759120D+00  0.109609D+01
                76            77            78            79            80 
      1  -0.151754D+01  0.201650D+01 -0.578224D+00  0.159864D+01 -0.101688D+01
      2   0.201650D+01 -0.549556D+01  0.192348D+01 -0.101688D+01  0.341676D+01
      3  -0.578224D+00  0.192348D+01 -0.178188D+01  0.127681D+01 -0.252072D+01
                81            82            83            84            85 
      1   0.127681D+01  0.707566D+00 -0.848654D+00 -0.132459D+01 -0.554197D+00
      2  -0.252072D+01 -0.848654D+00  0.851901D+00  0.552856D+00  0.102433D+01
      3   0.196996D+01 -0.132459D+01  0.552856D+00  0.106715D+01  0.257925D+00
                86            87            88            89            90 
      1   0.102433D+01  0.257925D+00 -0.221948D+01  0.531478D+00  0.148009D+01
      2  -0.256792D+01 -0.178859D+01  0.531478D+00 -0.302832D+01 -0.366152D+01
      3  -0.178859D+01 -0.188590D+01  0.148009D+01 -0.366152D+01 -0.647733D+01
                91            92            93            94            95 
      1  -0.485751D+01  0.229468D+01  0.463881D+00  0.164032D+01 -0.136545D+01
      2   0.229468D+01 -0.455255D+01 -0.309691D+00 -0.136545D+01  0.184373D+01
      3   0.463881D+00 -0.309691D+00 -0.113316D+01 -0.191031D+00  0.136299D+00
                96            97            98            99           100 
      1  -0.191031D+00  0.942395D+00 -0.329050D+00 -0.634152D+00  0.267740D-01
      2   0.136299D+00 -0.329050D+00  0.914556D+00  0.743727D+00  0.266772D+01
      3   0.561023D+00 -0.634152D+00  0.743727D+00  0.460567D+00 -0.454849D+01
               101           102           103           104           105 
      1   0.266772D+01 -0.454849D+01  0.291176D+01 -0.264143D+01  0.386820D+00
      2  -0.205074D+01  0.403573D+00 -0.264143D+01 -0.442451D+01 -0.267712D+01
      3   0.403573D+00  0.142655D+01  0.386820D+00 -0.267712D+01  0.201441D+01
               106           107           108           109           110 
      1  -0.393826D+01  0.220120D+00  0.130057D+01 -0.159252D+01  0.252643D+01
      2   0.220120D+00 -0.117696D+01  0.176499D+01  0.252643D+01 -0.300764D+01
      3   0.130057D+01  0.176499D+01  0.391624D+01 -0.320120D+01  0.263420D+00
               111           112           113           114           115 
      1  -0.320120D+01  0.292311D+01 -0.377677D+01  0.248096D+00 -0.355173D+01
      2   0.263420D+00 -0.377677D+01 -0.441220D+01 -0.902681D+00  0.279407D+00
      3   0.154793D+01  0.248096D+00 -0.902681D+00  0.179635D+01  0.547832D+00
               116           117           118           119           120 
      1   0.279407D+00  0.547832D+00 -0.388484D+01 -0.839945D+00  0.244154D+01
      2  -0.107723D+01  0.154849D+01 -0.839945D+00 -0.808948D+00  0.237878D+00
      3   0.154849D+01  0.681685D+01  0.244154D+01  0.237878D+00 -0.374353D+01
               121           122           123           124           125 
      1  -0.976508D+00 -0.502018D+00  0.381351D+00  0.209777D+01  0.225766D+00
      2  -0.502018D+00 -0.101447D+00  0.103641D+01  0.225766D+00  0.798806D+00
      3   0.381351D+00  0.103641D+01 -0.120472D+01 -0.204072D+01 -0.611879D+00
               126           127           128           129           130 
      1  -0.204072D+01  0.815776D+00  0.905271D+00  0.880885D+00  0.150315D+01
      2  -0.611879D+00  0.905271D+00  0.119726D+01  0.347990D+00  0.171177D+01
      3   0.360746D+01  0.880885D+00  0.347990D+00  0.260408D+00  0.828240D+00
               131           132           133           134           135 
      1   0.171177D+01  0.828240D+00  0.555517D+00  0.273722D+00  0.261121D+00
      2   0.660744D+01  0.239277D+01  0.273722D+00  0.125691D+01  0.110004D+01
      3   0.239277D+01  0.250264D+01  0.261121D+00  0.110004D+01  0.775411D+00
               136           137           138           139           140 
      1   0.489805D+01 -0.178195D+01  0.293966D+01 -0.253743D+01  0.182070D+01
      2  -0.178195D+01  0.173314D+01 -0.883656D+00  0.182070D+01 -0.151487D+01
      3   0.293966D+01 -0.883656D+00  0.259840D+01 -0.135894D+01  0.147997D+01
               141           142           143           144           145 
      1  -0.135894D+01  0.188664D+01 -0.671673D+00  0.166030D+01 -0.169824D+00
      2   0.147997D+01 -0.671673D+00  0.827162D+00 -0.108599D+01 -0.384537D+00
      3  -0.219232D+01  0.166030D+01 -0.108599D+01  0.209122D+01 -0.614414D+00
               146           147           148           149           150 
      1  -0.384537D+00 -0.614414D+00 -0.737325D+00  0.515830D+00  0.176694D+00
      2   0.472386D-01 -0.376407D-01  0.515830D+00 -0.142577D-01 -0.103895D+01
      3  -0.376407D-01 -0.594707D+00  0.176694D+00 -0.103895D+01 -0.117324D+01
               151           152           153           154           155 
      1  -0.166629D+01 -0.569748D-01  0.137203D+01  0.768127D+01 -0.233875D+01
      2  -0.569748D-01 -0.112703D+01 -0.629092D+00 -0.233875D+01  0.195896D+01
      3   0.137203D+01 -0.629092D+00 -0.892317D+01  0.811620D+00 -0.331577D+00
               156           157           158           159           160 
      1   0.811620D+00 -0.410729D+01  0.252967D+01 -0.200932D+00  0.265046D+01
      2  -0.331577D+00  0.252967D+01 -0.169358D+01  0.419238D+00 -0.544921D+00
      3   0.955587D+00 -0.200932D+00  0.419238D+00 -0.108101D+01  0.100508D+01
               161           162           163           164           165 
      1  -0.544921D+00  0.100508D+01  0.221417D+01  0.150959D+01  0.189280D+00
      2   0.829021D+00 -0.714260D+00  0.150959D+01  0.190616D+01 -0.885306D-01
      3  -0.714260D+00  0.316426D+00  0.189280D+00 -0.885306D-01  0.182049D+00
               166           167           168           169           170 
      1   0.297867D+01  0.324013D+01 -0.427012D+00  0.940904D+00  0.167063D+00
      2   0.324013D+01  0.679062D+01 -0.141098D+00  0.167063D+00  0.564952D+00
      3  -0.427012D+00 -0.141098D+00  0.123957D+01  0.388658D+00  0.730139D+00
               171 
      1   0.388658D+00
      2   0.730139D+00
      3  -0.418118D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.139410D+01  0.398945D+01 -0.107862D+01  0.279641D+01  0.166808D+01
      2  -0.178844D+01 -0.296345D+01 -0.107010D+02 -0.242808D+01 -0.598855D+00
      3  -0.167979D+01  0.100357D+02  0.112495D+01 -0.781519D+00 -0.294841D+01
                 6             7             8             9            10 
      1   0.467000D+01  0.654894D+00  0.126657D+02 -0.175800D+01  0.585864D+00
      2   0.278599D+01 -0.138887D+02 -0.335017D+01  0.341703D+01 -0.386932D+01
      3  -0.166026D+01  0.301094D+01 -0.626888D+01  0.341711D+00  0.129983D+01
                11            12            13            14            15 
      1  -0.899775D+00 -0.275687D+01 -0.188366D+01  0.432791D+00 -0.727492D+00
      2   0.218101D+01  0.131093D+01  0.425054D+01  0.291043D+00  0.343195D+01
      3  -0.287831D+01 -0.627918D+00  0.697347D+01 -0.594610D+00  0.114520D+01
                16            17            18            19            20 
      1  -0.110672D+01  0.198953D+01 -0.124587D+01 -0.860554D+00 -0.352654D+00
      2  -0.227063D+01  0.742404D+00 -0.479942D+01  0.878341D+01 -0.140781D+00
      3  -0.671164D+00  0.270531D+01 -0.203422D+01  0.288584D+01 -0.878882D+01
                21            22            23            24            25 
      1   0.839946D+00 -0.429333D+00  0.634524D+00 -0.611247D+01  0.284498D+00
      2   0.422941D+01 -0.804047D+00  0.193808D+01 -0.259628D+01 -0.521793D+01
      3   0.458310D-01 -0.434339D+00 -0.630184D+01 -0.280316D+01  0.926389D+00
                26            27            28            29            30 
      1   0.253133D+01 -0.112664D+01  0.163003D+00  0.217441D+01 -0.458744D+01
      2  -0.250019D+01 -0.466717D+01 -0.195931D+01  0.576283D+00 -0.259472D+01
      3  -0.245434D+01  0.202865D+01 -0.105874D+02  0.160531D+01  0.825887D+00
                31            32            33            34            35 
      1   0.333896D+01 -0.370897D+01  0.568114D+01 -0.309109D+01  0.126657D+02
      2  -0.508000D+00 -0.249328D+01  0.195649D+01 -0.663630D+01  0.522375D+01
      3   0.422640D+01  0.605952D+01  0.159528D+01 -0.115635D+00  0.164122D+01
                36            37            38            39            40 
      1   0.656149D+01 -0.567743D+00 -0.183844D+01 -0.240524D+00  0.133952D+01
      2   0.291234D+01 -0.225653D+00  0.142370D+01  0.627638D+01  0.818128D+00
      3   0.126842D+01  0.982488D+01 -0.271536D+01 -0.110325D+01  0.119404D+02
                41            42            43            44            45 
      1   0.194385D+01 -0.678332D+01 -0.457526D+01 -0.188701D+01  0.176104D+01
      2  -0.571831D+00 -0.632532D+00 -0.313072D+01  0.382330D+01 -0.134205D+01
      3  -0.527475D+01  0.287249D-01 -0.341009D+01  0.595385D+00 -0.271097D+00
                46            47            48            49            50 
      1   0.168888D+01 -0.992174D+00  0.155985D+01 -0.109773D+01 -0.403314D+00
      2  -0.319701D+01  0.215422D+00  0.150373D+02  0.123000D+01 -0.556997D+00
      3   0.887781D+01 -0.212160D+02 -0.671523D+00 -0.202685D+01  0.915848D+01
                51            52            53            54            55 
      1  -0.361656D+01 -0.176404D+01  0.571505D+00  0.604210D+00  0.140061D+01
      2  -0.219082D+01  0.494929D+01  0.841761D+00 -0.437451D+01 -0.361384D+00
      3   0.727009D+00 -0.551044D+00  0.472615D+01  0.279869D+01  0.134183D+02
                56            57            58            59            60 
      1  -0.146279D+01 -0.185434D+01  0.928593D-01 -0.308219D+01 -0.652170D+01
      2   0.917487D+00  0.101580D+01 -0.768895D+00 -0.649235D+00 -0.106322D+01
      3   0.336880D-01 -0.101657D+01  0.578994D+01  0.378747D+01  0.179324D+00
                61            62            63            64            65 
      1  -0.651294D+00  0.202195D+01 -0.187732D+01  0.160235D+00 -0.864421D-01
      2  -0.379440D+01  0.466803D+00 -0.121243D-01  0.224213D+01 -0.300624D+00
      3  -0.153207D+01  0.738624D-01  0.182803D+01  0.635393D+00 -0.999861D+00
                66            67            68            69            70 
      1   0.334645D+00 -0.460517D+00  0.545727D+00  0.583804D+00 -0.566437D+00
      2  -0.260068D+00 -0.108720D+01  0.486540D+00 -0.530762D-01 -0.474694D+01
      3  -0.519449D+00  0.244404D+00  0.975613D-01 -0.386144D+00 -0.897110D+00
                71            72            73            74            75 
      1   0.390315D+01  0.440614D+01  0.284313D+01 -0.177353D+01  0.299575D+01
      2   0.383916D+00  0.351663D+01  0.900344D+00 -0.813145D+00  0.209665D+01
      3  -0.867351D+00  0.742430D+00 -0.276939D+01 -0.220780D-01 -0.186387D+01
                76            77            78            79            80 
      1  -0.198445D+01  0.448951D+01 -0.552969D+01  0.311073D+01 -0.382928D+01
      2   0.243657D+00  0.184766D+01 -0.206277D+01  0.160427D-01 -0.234236D+01
      3   0.439424D+01 -0.829818D+00 -0.102791D+00 -0.384707D+01 -0.116956D+01
                81            82            83            84            85 
      1   0.565906D+01 -0.247185D+01  0.962521D-01  0.213063D+01 -0.221676D+00
      2   0.215977D+01  0.125425D+00 -0.178134D+00  0.740849D+00 -0.531921D+00
      3  -0.103487D+01 -0.145916D+01 -0.414258D+00  0.237814D+01  0.152040D+01
                86            87            88            89            90 
      1  -0.164853D+01 -0.426830D+01  0.337974D+01 -0.284230D+01 -0.116948D+02
      2  -0.819239D+00 -0.152024D+01 -0.219241D+01 -0.258251D+01 -0.448724D+01
      3  -0.120011D+01  0.425569D+00  0.558253D+01  0.101936D+01 -0.152632D+01
                91            92            93            94            95 
      1  -0.233803D+01  0.152897D+01  0.298662D+01  0.364701D+00 -0.950719D+00
      2  -0.249544D+00  0.685391D-01  0.196960D+01  0.904139D-01  0.134910D+00
      3  -0.139426D+02 -0.178586D+01  0.144963D+01  0.156871D+01 -0.285990D+01
                96            97            98            99           100 
      1  -0.140472D+01  0.965409D+00 -0.704869D+00 -0.131448D+01  0.611701D+01
      2  -0.756587D+00 -0.340917D+00 -0.899683D+00 -0.406044D+00 -0.641765D+01
      3  -0.967843D-01  0.231547D+01 -0.239562D+00 -0.538092D+00 -0.337161D+01
               101           102           103           104           105 
      1  -0.420199D+01 -0.292457D+00 -0.531878D+01 -0.898703D+01 -0.897689D+01
      2  -0.445455D+01  0.146290D+02 -0.463295D+01  0.124552D+01  0.185705D+01
      3   0.181756D+01 -0.224381D+01  0.688937D+01  0.549033D+01  0.345511D+01
               106           107           108           109           110 
      1   0.566134D+00 -0.223307D+01  0.325754D+01 -0.115602D+01  0.304823D+01
      2   0.705573D+01  0.174917D+01  0.155780D+01 -0.110876D+02  0.272901D+01
      3  -0.156818D+01  0.225918D+01 -0.199712D+01 -0.725451D+01  0.709581D+01
               111           112           113           114           115 
      1  -0.683066D+00  0.407329D+01  0.460877D+01 -0.166979D+01  0.313309D+00
      2   0.180325D+01  0.317349D+01 -0.574090D+01  0.481191D+01 -0.482964D+01
      3  -0.145407D+01  0.160643D+02  0.116719D+02  0.156889D+01 -0.197781D+01
               116           117           118           119           120 
      1   0.205096D+01 -0.358615D+01 -0.222107D+01 -0.281164D+01  0.919794D+00
      2   0.384613D+01  0.189707D+02  0.130556D+02  0.241004D+01 -0.653727D+01
      3   0.296518D+01 -0.414689D+01 -0.160956D+00 -0.876559D+00  0.337344D+00
               121           122           123           124           125 
      1  -0.128788D+01 -0.676422D+00  0.919227D+00  0.117013D+01  0.305382D+01
      2   0.292941D+01  0.213279D+01 -0.170817D+01 -0.834703D+01 -0.125176D+01
      3   0.118568D+01 -0.131282D+00 -0.981982D+00 -0.599746D-02  0.866397D-02
               126           127           128           129           130 
      1  -0.173952D+01  0.126325D+01  0.209359D+01  0.184033D+00  0.241869D+01
      2   0.682024D+01  0.337320D+00 -0.826500D+00  0.475173D-01 -0.220579D+01
      3   0.683966D-01 -0.659273D+00 -0.196538D+01 -0.346935D+00  0.815711D+00
               131           132           133           134           135 
      1   0.128645D+02  0.438747D+00  0.623780D+00  0.290416D+01  0.153158D+01
      2   0.622174D+00  0.271575D+01 -0.144600D+01  0.913513D+00  0.643199D+00
      3  -0.934851D+01 -0.276194D+01 -0.446852D-01 -0.169674D+01 -0.164410D+01
               136           137           138           139           140 
      1  -0.405720D+01  0.455352D+01 -0.116483D+01  0.331222D+01 -0.366106D+01
      2  -0.522228D+01  0.226097D+01  0.107565D+01  0.348897D+01 -0.119304D+01
      3   0.243446D+01 -0.450886D+01  0.161282D+01 -0.147186D+01  0.317742D+01
               141           142           143           144           145 
      1   0.129047D+01 -0.167580D+01  0.301107D+01 -0.201936D+01  0.509966D+00
      2  -0.140532D+01 -0.293029D+01 -0.981263D-01  0.465674D+00 -0.247585D+01
      3  -0.198771D+01  0.947439D+00 -0.182975D+01  0.181034D+01  0.918051D+00
               146           147           148           149           150 
      1   0.248836D+00  0.196845D-01 -0.203522D+00  0.643687D+00  0.287585D+00
      2  -0.398039D+00 -0.729775D+00 -0.802878D+00 -0.180123D+01 -0.282800D+01
      3  -0.841960D+00 -0.654432D-01 -0.325151D+00  0.222180D+00  0.225527D+01
               151           152           153           154           155 
      1  -0.538026D-01  0.414813D+01  0.271811D+01  0.184397D+01 -0.144436D+01
      2  -0.218922D+01 -0.197003D+01 -0.213400D+02  0.834494D+01 -0.324398D+01
      3   0.127095D+00  0.303118D+01  0.192143D+01  0.695021D+01 -0.797019D+01
               156           157           158           159           160 
      1   0.103752D+01 -0.164610D+01  0.102154D+01 -0.166854D+01  0.294383D+00
      2   0.558112D+01 -0.370185D+01  0.329627D+01 -0.443019D+01  0.319850D+01
      3   0.126198D+01 -0.549144D+01  0.586775D+01 -0.144318D+01  0.151107D+01
               161           162           163           164           165 
      1   0.192247D+00  0.915269D+00 -0.150936D+01 -0.186948D+01 -0.350323D+00
      2  -0.238896D+01  0.237945D+01  0.214128D+01  0.954223D+00  0.148499D+01
      3  -0.294888D+01  0.203859D+01 -0.315849D+01 -0.582070D+01  0.458345D+00
               166           167           168           169           170 
      1  -0.227943D+01 -0.615218D+01 -0.306709D+01 -0.802264D-01  0.342528D-02
      2   0.124699D+01  0.242964D+01  0.368807D+01  0.526466D+00  0.159654D+01
      3  -0.486688D+01 -0.182469D+02 -0.800270D-01  0.199926D+00 -0.155044D+01
               171 
      1  -0.634399D+00
      2  -0.490678D+00
      3  -0.165397D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.522811D+02 -0.233052D+00  0.118005D+01  0.134284D+02  0.106849D+02
      2   0.296997D+02  0.462037D+01 -0.388620D+01 -0.893791D+01 -0.130170D+02
      3   0.225814D+02 -0.438732D+01  0.270615D+01 -0.449051D+01  0.233216D+01
      4   0.103183D+02 -0.136414D+02 -0.109337D+00  0.993859D+00  0.715728D+01
      5   0.255261D+01  0.550296D+00 -0.148588D+02 -0.123542D+01  0.412071D+00
      6  -0.192401D+00 -0.602211D+00  0.446014D+01 -0.888286D-01 -0.298883D+00
                 6             7             8             9            10 
      1  -0.275833D+01  0.103675D+02 -0.189062D+01 -0.640197D+01 -0.162532D+01
      2   0.935247D+00 -0.751971D+01 -0.163120D+00 -0.385705D+01  0.576636D+01
      3   0.182309D+01 -0.284779D+01  0.205373D+01  0.102590D+02 -0.414104D+01
      4   0.709704D+00 -0.638798D+00  0.365207D+01  0.125765D+01 -0.227398D+01
      5   0.868496D+01  0.476468D+01 -0.124592D+00  0.671516D+01 -0.228124D+01
      6  -0.482967D+01  0.839540D+00  0.235842D+01  0.129079D+01 -0.107868D+00
                11            12            13            14            15 
      1  -0.162938D+01 -0.100844D+01  0.760930D+01  0.612725D+00  0.175679D+01
      2   0.340217D+01 -0.154222D+00 -0.397305D+01 -0.618258D+01  0.582776D+01
      3  -0.177279D+01  0.116266D+01 -0.363624D+01  0.556985D+01 -0.758455D+01
      4  -0.287373D+00  0.751505D-01 -0.475777D+01  0.639819D+00 -0.159271D+01
      5  -0.168082D+01  0.282999D+00 -0.232542D+01 -0.348585D+00  0.399369D+01
      6  -0.172006D+01  0.225018D+01 -0.134490D+01  0.104441D+01 -0.308953D+01
                16            17            18            19            20 
      1  -0.771284D+01  0.473382D+00  0.145550D+02 -0.234353D+01 -0.294591D+01
      2   0.249597D+01 -0.366999D+01  0.156537D+02 -0.440135D+01 -0.176708D+01
      3   0.521688D+01  0.319661D+01 -0.302087D+02  0.674488D+01  0.471298D+01
      4  -0.145125D+01 -0.834047D+00 -0.317641D+01 -0.399569D+01  0.525928D+01
      5   0.407298D+00 -0.118340D+01 -0.132661D+01  0.142453D+02  0.158208D+01
      6  -0.318547D+01  0.984506D+00  0.728473D+01  0.328798D+00  0.272850D+01
                21            22            23            24            25 
      1   0.981053D+01 -0.881015D+01  0.107053D+02  0.149506D+01  0.147323D+02
      2  -0.432769D+01  0.513800D+01 -0.948651D+01 -0.114641D+00 -0.606580D+01
      3  -0.548284D+01  0.367215D+01 -0.121879D+01 -0.138042D+01 -0.866654D+01
      4   0.279760D+00  0.955170D+01  0.744830D+01  0.201018D+01  0.664107D+00
      5  -0.172969D+01  0.124614D+01  0.181838D+01 -0.491977D+01 -0.220259D+01
      6  -0.250854D+01  0.180017D+01 -0.281639D+01  0.435660D+01 -0.279399D+01
                26            27            28            29            30 
      1   0.468804D+00 -0.596092D+01 -0.777219D+00 -0.825044D+01 -0.320166D+01
      2   0.809672D+00  0.483051D+01  0.778910D+00  0.130516D+02 -0.108420D+01
      3  -0.127848D+01  0.113041D+01 -0.169095D-02 -0.480120D+01  0.428586D+01
      4   0.142315D+01 -0.557616D+01 -0.325729D+01 -0.148036D+02  0.234271D+01
      5  -0.494626D+01 -0.134375D+02 -0.443493D+01  0.101011D+01 -0.713298D+01
      6   0.365482D+01 -0.159429D+01  0.649118D+00 -0.107527D+01  0.997174D+01
                31            32            33            34            35 
      1  -0.486717D+01 -0.207091D+01  0.324315D+00 -0.297535D+01  0.131376D+01
      2   0.792122D+01  0.197790D+01  0.664054D+01 -0.207418D+01  0.763145D+01
      3  -0.305405D+01  0.930037D-01 -0.696485D+01  0.504953D+01 -0.894522D+01
      4  -0.715090D+01  0.555958D+01 -0.303835D+01  0.208567D+01 -0.251692D+01
      5   0.514621D+00 -0.171216D+01  0.420843D+01 -0.476933D+01  0.874486D+01
      6  -0.323166D+01  0.840857D+01 -0.126949D+02  0.981578D+01 -0.184484D+02
                36            37            38            39            40 
      1   0.125912D+02  0.610139D+01  0.392863D+01  0.957180D+00 -0.288090D+01
      2  -0.105376D+02  0.965989D+00 -0.176804D+01  0.752549D+00  0.382957D+01
      3  -0.205357D+01 -0.706738D+01 -0.216059D+01 -0.170973D+01 -0.948668D+00
      4   0.117182D+02  0.101986D+02  0.190245D+02 -0.878692D+00  0.106113D+02
      5   0.770400D+01  0.154132D+01  0.478478D+00  0.910570D+01  0.667258D+00
      6  -0.131691D+02  0.809581D+00 -0.136177D+01 -0.131812D+01  0.503996D+00
                41            42            43            44            45 
      1  -0.170968D+02  0.150633D+01 -0.443966D+00  0.582643D+00 -0.481971D+01
      2   0.275040D+02 -0.840041D+00  0.619929D+00 -0.545289D-01  0.321194D+01
      3  -0.104073D+02 -0.666288D+00 -0.175962D+00 -0.528114D+00  0.160776D+01
      4   0.944079D+01 -0.868277D+00 -0.102479D+01 -0.166020D+01  0.565120D+01
      5   0.104974D+01 -0.256781D+01  0.317809D+01  0.405788D+01 -0.186270D+01
      6  -0.363307D+00  0.102322D+02  0.176024D+01  0.914691D+01 -0.218854D+01
                46            47            48            49            50 
      1   0.100934D+03 -0.903042D+01 -0.365530D+01 -0.115738D+02  0.760368D+01
      2  -0.577884D+02  0.479234D+01  0.307026D+01  0.683910D+01  0.686865D-01
      3  -0.431458D+02  0.423808D+01  0.585037D+00  0.473473D+01 -0.767237D+01
      4  -0.761625D+01  0.236458D+02  0.627892D+00  0.205765D+02 -0.829384D+01
      5  -0.232614D+01  0.246365D+00  0.245010D+02  0.115819D+01 -0.108584D+01
      6   0.259856D+00  0.727283D+00 -0.254068D+01 -0.741196D+00 -0.412779D+00
                51            52            53            54            55 
      1   0.103752D+01 -0.937999D+01  0.134659D+01  0.128787D+02 -0.112531D+01
      2  -0.512145D+00  0.665864D+01 -0.539216D-01 -0.116154D+02 -0.136231D+01
      3  -0.525371D+00  0.272135D+01 -0.129267D+01 -0.126324D+01  0.248762D+01
      4  -0.215637D+01  0.137425D+01 -0.346907D+01 -0.127236D+01  0.161618D+02
      5  -0.497733D+01  0.238482D+02 -0.357427D+01 -0.755384D+01  0.632232D+00
      6   0.512052D+01 -0.301852D+00  0.438329D+01 -0.723293D-02 -0.188316D+01
                56            57            58            59            60 
      1  -0.399826D+01  0.768886D+00 -0.258201D+01 -0.239395D+02 -0.144736D+01
      2   0.875687D+01  0.104542D+01  0.219729D+01  0.375273D+02 -0.451847D+01
      3  -0.475861D+01 -0.181431D+01  0.384727D+00 -0.135877D+02  0.596583D+01
      4  -0.589716D+01 -0.184912D+01  0.448204D+01 -0.260180D+01  0.151241D+01
      5  -0.115109D+01  0.264505D+01  0.744250D+00  0.274350D+00 -0.242115D+01
      6   0.692537D+00  0.179648D+01  0.144400D+01 -0.269079D+01  0.102821D+02
                61            62            63            64            65 
      1   0.387957D+00 -0.518627D+00 -0.687256D+01 -0.557000D+00  0.978857D+00
      2   0.571249D+00  0.308429D+01  0.139122D+01 -0.411842D+01 -0.541292D+00
      3  -0.959206D+00 -0.256566D+01  0.548135D+01  0.467542D+01 -0.437565D+00
      4  -0.159976D+01  0.181584D+01  0.590762D+00  0.113100D+01  0.214177D+01
      5   0.263694D+01 -0.103800D+01  0.106141D+00  0.474484D+00 -0.257776D+00
      6   0.100551D+01  0.875788D+01 -0.688591D-01 -0.145357D+01  0.191616D+00
                66            67            68            69            70 
      1   0.560547D+00 -0.133055D+00 -0.389589D+01  0.845578D+00  0.178239D+01
      2   0.570579D-02  0.495095D+00  0.518948D+00 -0.339534D+01  0.460664D+00
      3  -0.566253D+00 -0.362040D+00  0.337694D+01  0.254977D+01 -0.224306D+01
      4  -0.156025D+01  0.185934D+01  0.576661D-02  0.563586D+00 -0.150705D+01
      5   0.681198D+01  0.451033D+00  0.306445D+00  0.987178D-01  0.568315D+01
      6  -0.170948D-01  0.186889D+00 -0.183851D+01  0.664756D+01  0.752466D+00
                71            72            73            74            75 
      1   0.333219D+01 -0.213097D+02  0.678176D+00  0.308611D+01 -0.422503D+00
      2  -0.298340D+01 -0.206306D+02  0.457910D+01 -0.951740D+01  0.202684D+01
      3  -0.348788D+00  0.419403D+02 -0.525728D+01  0.643128D+01 -0.160434D+01
      4   0.160766D+01  0.175293D+01 -0.947177D+01  0.134340D+02 -0.579205D+01
      5   0.213260D+00  0.398877D+01  0.351589D+01 -0.323200D+01  0.401271D+01
      6   0.610438D+01 -0.116268D+02 -0.586938D+01  0.457607D+01 -0.492673D+01
                76            77            78            79            80 
      1   0.405317D+01 -0.147471D+02  0.505804D+01 -0.483961D+00  0.870792D+01
      2  -0.847170D+01  0.277520D+02 -0.916295D+01  0.237192D+01 -0.147524D+02
      3   0.441854D+01 -0.130048D+02  0.410491D+01 -0.188796D+01  0.604448D+01
      4   0.989385D+01 -0.144190D+02  0.502080D+01 -0.739646D+01  0.851193D+01
      5  -0.239967D+01  0.370532D+01 -0.351435D+01  0.446589D+01 -0.513841D+01
      6   0.349113D+01 -0.123738D+02  0.102444D+02 -0.604923D+01  0.146136D+02
                81            82            83            84            85 
      1  -0.782750D+01 -0.884156D+00  0.135344D+01  0.249886D+00  0.250635D+01
      2   0.752271D+01  0.266542D+00 -0.269607D+01  0.196946D+00 -0.362804D+01
      3   0.304792D+00  0.617614D+00  0.134263D+01 -0.446832D+00  0.112169D+01
      4  -0.710790D+01 -0.351184D+01  0.687006D+01  0.524094D+01  0.473751D+01
      5   0.442590D+01 -0.321585D+01  0.303227D+01  0.648215D+01  0.152291D+01
      6  -0.105605D+02  0.577187D+01 -0.249381D+01 -0.446242D+01 -0.197446D+01
                86            87            88            89            90 
      1  -0.945662D+01 -0.687789D+01  0.161694D+01 -0.116635D+02 -0.170203D+02
      2   0.110491D+02  0.623652D+01  0.103477D+01  0.868508D+01  0.344105D+01
      3  -0.159252D+01  0.641370D+00 -0.265171D+01  0.297846D+01  0.135793D+02
      4  -0.574668D+01 -0.256844D+01  0.635818D+01 -0.569307D+01 -0.761033D+01
      5  -0.293357D+01 -0.300775D+01  0.743770D+01 -0.617700D+01 -0.104482D+02
      6   0.104948D+02  0.124263D+02 -0.668535D+01  0.192657D+02  0.269086D+02
                91            92            93            94            95 
      1   0.670050D+01  0.335324D+01 -0.891875D+00 -0.949005D+00 -0.117352D+01
      2   0.332235D+01 -0.122592D+02 -0.889083D+00 -0.341625D+01  0.693770D+01
      3  -0.100229D+02  0.890596D+01  0.178096D+01  0.436525D+01 -0.576418D+01
      4  -0.225025D+02  0.184532D+02  0.252336D+01  0.839978D+01 -0.772318D+01
      5  -0.652143D+00  0.590944D+00  0.227546D+01  0.137673D+00 -0.507283D+00
      6   0.214580D+01 -0.446498D+00 -0.418860D+01 -0.642377D+00  0.429553D+00
                96            97            98            99           100 
      1   0.795165D-01 -0.359266D+00 -0.127545D+01 -0.730826D+00  0.482089D+01
      2   0.350674D+00 -0.748431D+00  0.218337D+01  0.399412D+00  0.881591D+01
      3  -0.430190D+00  0.110770D+01 -0.907916D+00  0.331413D+00 -0.136368D+02
      4  -0.890278D+00  0.328126D+01 -0.255274D+01 -0.342055D+01  0.841606D+01
      5  -0.981315D+00  0.323438D+01 -0.231493D+01 -0.863141D+00 -0.108201D+02
      6   0.231186D+01 -0.292793D+01  0.392127D+01  0.194616D+01  0.919593D+01
               101           102           103           104           105 
      1   0.886144D+01 -0.153698D+02  0.114049D+02 -0.105313D+01  0.152579D+01
      2  -0.625373D+01  0.337821D+01 -0.928330D+01 -0.264508D+00 -0.767457D+01
      3  -0.260771D+01  0.119916D+02 -0.212162D+01  0.131764D+01  0.614878D+01
      4  -0.576774D+01  0.307266D+01 -0.854087D+01 -0.116417D+02 -0.809310D+01
      5   0.952366D+01 -0.120322D+02  0.100992D+02 -0.128000D+02  0.597119D+01
      6  -0.736281D+01  0.172097D+01 -0.986325D+01 -0.130874D+02 -0.764636D+01
               106           107           108           109           110 
      1  -0.133378D+02  0.121707D+00 -0.311860D+01 -0.123070D+02  0.162190D+02
      2   0.226144D+01 -0.642405D+01 -0.666472D+01  0.123477D+01 -0.933351D+01
      3   0.110764D+02  0.630235D+01  0.978332D+01  0.110722D+02 -0.688546D+01
      4   0.226530D+01 -0.460795D+01  0.565328D+01  0.162132D+02 -0.159957D+02
      5  -0.106284D+02  0.528534D+01  0.128262D+02 -0.170216D+02 -0.645960D+00
      6   0.228384D+01 -0.554024D+01  0.722031D+01 -0.386678D+01  0.281637D+01
               111           112           113           114           115 
      1  -0.150777D+02  0.214262D+02 -0.156508D+02  0.437978D+01 -0.203184D+02
      2   0.909163D+01 -0.148854D+02  0.342113D+00  0.326450D+00  0.869081D+01
      3   0.598606D+01 -0.654083D+01  0.153087D+02 -0.470623D+01  0.116276D+02
      4   0.135358D+01 -0.234858D+02 -0.229681D+02 -0.364068D+01  0.251362D+01
      5   0.829548D+01 -0.590667D+00 -0.206071D+01  0.695519D+01  0.611377D+01
      6   0.466308D+00  0.479012D+01  0.505359D+01  0.143990D+01  0.786305D+00
               116           117           118           119           120 
      1   0.518223D+01  0.146161D+02 -0.762585D+01 -0.224805D+01  0.132990D+02
      2  -0.120572D+01  0.700459D+01 -0.298514D+01  0.489216D+00  0.519004D+01
      3  -0.397651D+01 -0.216207D+02  0.106110D+02  0.175883D+01 -0.184891D+02
      4  -0.615439D+01  0.777978D+01 -0.131508D+01  0.942510D+00  0.226795D+00
      5   0.658369D+01  0.240622D+02 -0.106183D+02 -0.271347D+01  0.632723D+01
      6   0.157300D+01 -0.228962D+01 -0.293563D+01 -0.389279D+01  0.141592D+01
               121           122           123           124           125 
      1  -0.328427D+01 -0.334364D+01  0.317525D+01  0.924005D+01  0.182639D+01
      2   0.126922D+01  0.463596D+00  0.190889D+01  0.280922D+01  0.149939D+01
      3   0.201505D+01  0.288005D+01 -0.508414D+01 -0.120493D+02 -0.332577D+01
      4   0.204533D+01  0.110628D+01  0.896361D+00  0.430766D+00  0.548455D+00
      5  -0.295198D+01 -0.229819D+00 -0.603372D+00  0.788027D+01  0.337450D+00
      6  -0.244838D+01 -0.109767D+01  0.600876D+01  0.134515D+01  0.473940D+01
               126           127           128           129           130 
      1  -0.140714D+02  0.134665D+01  0.140551D+01  0.204444D+01  0.192871D+01
      2  -0.749116D+01 -0.881538D+00  0.596724D+00 -0.108234D+01  0.214826D+00
      3   0.215625D+02 -0.465110D+00 -0.200224D+01 -0.962100D+00 -0.214354D+01
      4  -0.100331D+01  0.415169D+01  0.762054D+01  0.200668D+01  0.935848D+01
      5  -0.488315D+01  0.453227D+01  0.351690D+01  0.528694D+01  0.629141D+01
      6  -0.255092D+01  0.269710D+01  0.445169D+01  0.182812D+01  0.653348D+01
               131           132           133           134           135 
      1  -0.869370D+01 -0.635305D+01  0.638351D+00 -0.412042D+01 -0.390147D+01
      2   0.129498D+02 -0.188971D+00 -0.916686D+00  0.153846D+00  0.291067D+00
      3  -0.425611D+01  0.654202D+01  0.278336D+00  0.396658D+01  0.361040D+01
      4   0.193154D+02  0.718505D+01  0.734270D+00  0.350094D+01  0.310001D+01
      5   0.963076D+01  0.790082D+01  0.389945D+01  0.353955D+01  0.230406D+01
      6   0.241464D+02  0.127353D+02  0.168297D+01  0.941099D+01  0.594535D+01
               136           137           138           139           140 
      1   0.184810D+02 -0.541279D+01  0.556191D+01 -0.754482D+01  0.198810D+01
      2  -0.166201D+02  0.414077D+01 -0.109395D+02  0.613076D+01 -0.131949D+01
      3  -0.186089D+01  0.127202D+01  0.537757D+01  0.141406D+01 -0.668607D+00
      4  -0.816835D+01  0.807783D+01 -0.389000D+01  0.876603D+01 -0.721276D+01
      5   0.246368D+02 -0.855429D+01  0.194726D+02 -0.121829D+02  0.941382D+01
      6  -0.727244D+01  0.743234D+01 -0.451719D+01  0.770108D+01 -0.690584D+01
               141           142           143           144           145 
      1   0.310796D+00  0.356403D+01  0.363495D+00  0.308637D+00 -0.695962D-02
      2   0.584607D+01 -0.767101D+01  0.355228D+01 -0.898044D+01 -0.202146D+01
      3  -0.615686D+01  0.410697D+01 -0.391577D+01  0.867181D+01  0.202842D+01
      4   0.570183D+01 -0.257267D+01  0.325079D+01 -0.416261D+01 -0.207845D+01
      5  -0.104770D+02  0.143699D+02 -0.600517D+01  0.133155D+02 -0.185320D+01
      6   0.755848D+01 -0.390400D+01  0.516657D+01 -0.576137D+01  0.661553D+00
               146           147           148           149           150 
      1  -0.239433D+01 -0.467640D+01 -0.399925D+01 -0.658070D+00 -0.186709D+01
      2   0.136667D+01  0.146633D+01  0.279873D+01 -0.596690D+00 -0.163457D+01
      3   0.102766D+01  0.321006D+01  0.120053D+01  0.125476D+01  0.350166D+01
      4   0.174178D+01 -0.147485D+00  0.410664D+01  0.326740D+00 -0.435307D+01
      5   0.574805D+00  0.405414D+01  0.194998D+01 -0.401521D+01 -0.493961D+01
      6   0.495308D+00  0.256231D-01 -0.111208D+01  0.128623D+01  0.612029D+01
               151           152           153           154           155 
      1  -0.653518D+01 -0.172531D+01 -0.148086D+02  0.515270D+02 -0.153917D+02
      2   0.659435D+01 -0.874774D+00 -0.186407D+02 -0.240641D+02  0.635894D+01
      3  -0.591655D-01  0.260008D+01  0.334494D+02 -0.274629D+02  0.903279D+01
      4  -0.638099D+00 -0.517624D+01 -0.351036D+01 -0.167193D+02  0.146122D+02
      5   0.120823D+02 -0.274033D+01 -0.381976D+02 -0.164721D-01 -0.358369D+00
      6   0.216972D+00  0.600497D+01  0.413219D+00  0.258880D+01 -0.241527D+01
               156           157           158           159           160 
      1   0.616557D+01 -0.239964D+02  0.122459D+02 -0.224326D+01  0.155548D+02
      2  -0.211976D+01  0.103221D+02 -0.175805D+01 -0.323181D+00 -0.692179D+01
      3  -0.404581D+01  0.136744D+02 -0.104879D+02  0.256645D+01 -0.863303D+01
      4  -0.218665D+01  0.186038D+02 -0.122367D+02  0.265699D+01 -0.431274D+01
      5   0.716352D+01  0.946317D+00  0.989516D+00 -0.642303D+01  0.720448D+01
      6  -0.253359D+00 -0.250597D+01  0.104683D+01  0.123734D+01 -0.672032D+00
               161           162           163           164           165 
      1  -0.349824D+01  0.450318D+01  0.121872D+02  0.647567D+01  0.124135D+01
      2   0.778184D+00 -0.403811D+01 -0.280857D+01 -0.503154D+00 -0.508839D+00
      3   0.272006D+01 -0.465071D+00 -0.937867D+01 -0.597252D+01 -0.732507D+00
      4   0.533369D+01 -0.442446D+01  0.991543D+01  0.150036D+02 -0.500933D+00
      5  -0.414569D+01  0.300901D+01 -0.739106D+00 -0.167711D+01  0.198678D+01
      6   0.705240D+00 -0.292608D+00 -0.152719D+01 -0.274123D+01  0.797252D+00
               166           167           168           169           170 
      1   0.112001D+02  0.431653D+01 -0.504448D+00  0.489455D+01  0.416416D+00
      2  -0.432738D+00  0.127789D+02  0.140610D+01 -0.141922D+01  0.124768D+01
      3  -0.107673D+02 -0.170955D+02 -0.901651D+00 -0.347533D+01 -0.166410D+01
      4   0.223819D+02  0.374394D+02 -0.903853D+00  0.143419D+01  0.302010D+01
      5  -0.404288D+01 -0.190727D+01  0.701947D+01  0.282662D+01  0.422167D+01
      6  -0.434597D+01 -0.919004D+01  0.448882D+01  0.162671D+01  0.363163D+01
               171 
      1  -0.124255D+01
      2   0.762104D-01
      3   0.116634D+01
      4   0.376066D+01
      5  -0.173221D+01
      6  -0.642859D-01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 16 13:28:59 2021, MaxMem=  5637144576 cpu:            8147.2 elap:            1024.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.20375 -19.16206 -19.14991 -10.33002 -10.26519
 Alpha  occ. eigenvalues --  -10.26453 -10.22694 -10.19767 -10.19089  -1.11874
 Alpha  occ. eigenvalues --   -1.04610  -1.03202  -0.84222  -0.73797  -0.71598
 Alpha  occ. eigenvalues --   -0.70574  -0.60071  -0.58144  -0.54560  -0.52878
 Alpha  occ. eigenvalues --   -0.49310  -0.48334  -0.46628  -0.44773  -0.44032
 Alpha  occ. eigenvalues --   -0.42685  -0.40574  -0.40209  -0.38743  -0.36955
 Alpha  occ. eigenvalues --   -0.36265  -0.35225  -0.32268  -0.30399  -0.29276
 Alpha virt. eigenvalues --   -0.02011   0.00400   0.02472   0.02836   0.03763
 Alpha virt. eigenvalues --    0.05473   0.06577   0.06646   0.07761   0.08317
 Alpha virt. eigenvalues --    0.09668   0.09996   0.11206   0.12072   0.12330
 Alpha virt. eigenvalues --    0.12687   0.13203   0.14167   0.14710   0.15465
 Alpha virt. eigenvalues --    0.16136   0.17578   0.18059   0.18429   0.19455
 Alpha virt. eigenvalues --    0.19733   0.20602   0.21880   0.22368   0.23184
 Alpha virt. eigenvalues --    0.24808   0.25075   0.25930   0.26385   0.27354
 Alpha virt. eigenvalues --    0.28035   0.29130   0.29828   0.30829   0.31256
 Alpha virt. eigenvalues --    0.31310   0.31822   0.32263   0.32998   0.33557
 Alpha virt. eigenvalues --    0.33905   0.34379   0.34758   0.35553   0.35799
 Alpha virt. eigenvalues --    0.36357   0.36712   0.37550   0.37858   0.39436
 Alpha virt. eigenvalues --    0.39857   0.40698   0.41058   0.42232   0.42445
 Alpha virt. eigenvalues --    0.42840   0.43760   0.44874   0.45360   0.46219
 Alpha virt. eigenvalues --    0.46632   0.47517   0.47674   0.48751   0.49549
 Alpha virt. eigenvalues --    0.49750   0.49994   0.50718   0.51381   0.51772
 Alpha virt. eigenvalues --    0.52653   0.53139   0.54139   0.54509   0.55333
 Alpha virt. eigenvalues --    0.56026   0.56627   0.57247   0.58601   0.59505
 Alpha virt. eigenvalues --    0.60179   0.60821   0.61486   0.62640   0.62944
 Alpha virt. eigenvalues --    0.64117   0.64608   0.65647   0.65868   0.67556
 Alpha virt. eigenvalues --    0.68582   0.69966   0.70060   0.72480   0.72809
 Alpha virt. eigenvalues --    0.73834   0.75500   0.76366   0.78214   0.79358
 Alpha virt. eigenvalues --    0.80346   0.81649   0.83264   0.83844   0.85110
 Alpha virt. eigenvalues --    0.86232   0.87158   0.88932   0.89913   0.90512
 Alpha virt. eigenvalues --    0.92314   0.94263   0.98275   0.99081   0.99432
 Alpha virt. eigenvalues --    0.99950   1.01153   1.02778   1.03840   1.05462
 Alpha virt. eigenvalues --    1.06951   1.07428   1.09633   1.12853   1.15210
 Alpha virt. eigenvalues --    1.17320   1.18646   1.20888   1.21955   1.24046
 Alpha virt. eigenvalues --    1.24393   1.26272   1.32475   1.34320   1.36101
 Alpha virt. eigenvalues --    1.36311   1.37612   1.39659   1.40831   1.41502
 Alpha virt. eigenvalues --    1.46355   1.47388   1.52388   1.55693   1.56437
 Alpha virt. eigenvalues --    1.58417   1.60718   1.62471   1.65204   1.66822
 Alpha virt. eigenvalues --    1.70855   1.72173   1.74399   1.74801   1.76441
 Alpha virt. eigenvalues --    1.78395   1.79744   1.82487   1.83694   1.85186
 Alpha virt. eigenvalues --    1.85582   1.87015   1.88507   1.91232   1.91876
 Alpha virt. eigenvalues --    1.94130   1.96287   1.96460   2.00407   2.01501
 Alpha virt. eigenvalues --    2.02002   2.02684   2.03097   2.06089   2.07665
 Alpha virt. eigenvalues --    2.10252   2.13832   2.14637   2.15368   2.18039
 Alpha virt. eigenvalues --    2.18823   2.22571   2.23711   2.24883   2.26431
 Alpha virt. eigenvalues --    2.29108   2.31967   2.33888   2.36598   2.39738
 Alpha virt. eigenvalues --    2.40776   2.41552   2.42651   2.46354   2.48084
 Alpha virt. eigenvalues --    2.50943   2.54122   2.57691   2.58352   2.62357
 Alpha virt. eigenvalues --    2.64823   2.67868   2.69569   2.74274   2.83634
 Alpha virt. eigenvalues --    2.86454   2.90935   2.94160   2.95783   2.98310
 Alpha virt. eigenvalues --    3.02289   3.02690   3.07278   3.07890   3.09668
 Alpha virt. eigenvalues --    3.11220   3.12316   3.13825   3.14913   3.17350
 Alpha virt. eigenvalues --    3.19883   3.26175   3.28870   3.36917   3.46917
 Alpha virt. eigenvalues --    3.58274   3.73964   3.83332   3.96561
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.048381  -0.298314  -0.300634   0.054468  -0.233373   0.045374
     2  C   -0.298314   5.735074  -0.534156  -0.087400   0.096355   0.090204
     3  C   -0.300634  -0.534156  14.253926  -0.530786  -0.048416   0.026346
     4  C    0.054468  -0.087400  -0.530786   4.550679   0.063863  -0.027960
     5  O   -0.233373   0.096355  -0.048416   0.063863   8.808254   0.063338
     6  O    0.045374   0.090204   0.026346  -0.027960   0.063338   8.338117
     7  O    0.014755  -0.008800  -0.230803   0.005665  -0.010016  -0.059866
     8  H   -0.090990   0.071581   0.062475   0.020488   0.009662   0.023049
     9  H    0.045429   0.064272  -0.356396   0.117397  -0.076277  -0.003028
    10  H   -0.015794  -0.010948   0.091584   0.163952  -0.047396  -0.007650
    11  H   -0.055250   0.106808  -0.009921   0.002517   0.004634   0.034583
    12  C   -0.121532   0.038803  -0.333835   0.017881   0.030357   0.019643
    13  C    0.074647  -0.007984  -1.553732   0.024582   0.003782  -0.005325
    14  H    0.006489  -0.060198   0.279958  -0.045099   0.005771   0.004994
    15  H    0.038000   0.045891  -0.003118   0.030740  -0.007619  -0.004131
    16  H    0.023225   0.004881   0.014797   0.038994  -0.003725  -0.003779
    17  H    0.038389  -0.073614  -0.354522   0.018556  -0.006433  -0.002610
    18  H   -0.014646   0.024087   0.399120  -0.004965   0.004442   0.000958
    19  H   -0.005640   0.020861   0.223647   0.002039  -0.000486   0.001115
               7          8          9         10         11         12
     1  C    0.014755  -0.090990   0.045429  -0.015794  -0.055250  -0.121532
     2  C   -0.008800   0.071581   0.064272  -0.010948   0.106808   0.038803
     3  C   -0.230803   0.062475  -0.356396   0.091584  -0.009921  -0.333835
     4  C    0.005665   0.020488   0.117397   0.163952   0.002517   0.017881
     5  O   -0.010016   0.009662  -0.076277  -0.047396   0.004634   0.030357
     6  O   -0.059866   0.023049  -0.003028  -0.007650   0.034583   0.019643
     7  O    8.467456  -0.101962  -0.001564  -0.003320   0.177410  -0.011236
     8  H   -0.101962   1.107701   0.003086  -0.029985  -0.023008   0.027285
     9  H   -0.001564   0.003086   1.691553  -0.347994  -0.000182  -0.061913
    10  H   -0.003320  -0.029985  -0.347994   1.420442   0.001453   0.025107
    11  H    0.177410  -0.023008  -0.000182   0.001453   0.542366  -0.008408
    12  C   -0.011236   0.027285  -0.061913   0.025107  -0.008408   4.593619
    13  C    0.070855  -0.037966   0.116792  -0.062577  -0.001495  -0.090800
    14  H   -0.010796  -0.000123  -0.039292   0.001664  -0.001596   0.204964
    15  H    0.010562  -0.003432   0.008466  -0.004004   0.011607  -0.048405
    16  H    0.016685  -0.001809   0.035523  -0.001892  -0.000020  -0.054636
    17  H    0.025828  -0.007667   0.010544   0.002807   0.000316   0.008633
    18  H   -0.002044   0.001835  -0.008580  -0.010663  -0.000278   0.027197
    19  H    0.008219  -0.003208   0.002375  -0.000388  -0.002593   0.005994
              13         14         15         16         17         18
     1  C    0.074647   0.006489   0.038000   0.023225   0.038389  -0.014646
     2  C   -0.007984  -0.060198   0.045891   0.004881  -0.073614   0.024087
     3  C   -1.553732   0.279958  -0.003118   0.014797  -0.354522   0.399120
     4  C    0.024582  -0.045099   0.030740   0.038994   0.018556  -0.004965
     5  O    0.003782   0.005771  -0.007619  -0.003725  -0.006433   0.004442
     6  O   -0.005325   0.004994  -0.004131  -0.003779  -0.002610   0.000958
     7  O    0.070855  -0.010796   0.010562   0.016685   0.025828  -0.002044
     8  H   -0.037966  -0.000123  -0.003432  -0.001809  -0.007667   0.001835
     9  H    0.116792  -0.039292   0.008466   0.035523   0.010544  -0.008580
    10  H   -0.062577   0.001664  -0.004004  -0.001892   0.002807  -0.010663
    11  H   -0.001495  -0.001596   0.011607  -0.000020   0.000316  -0.000278
    12  C   -0.090800   0.204964  -0.048405  -0.054636   0.008633   0.027197
    13  C    5.435230  -0.000458   0.057313   0.035266   0.539935  -0.149007
    14  H   -0.000458   0.760803  -0.067354  -0.063324  -0.001725  -0.003074
    15  H    0.057313  -0.067354   0.935183  -0.075431   0.006673  -0.023768
    16  H    0.035266  -0.063324  -0.075431   0.967717   0.009323   0.020108
    17  H    0.539935  -0.001725   0.006673   0.009323   0.950592  -0.099453
    18  H   -0.149007  -0.003074  -0.023768   0.020108  -0.099453   0.867449
    19  H   -0.092197  -0.001980   0.028109  -0.024025  -0.089832  -0.022988
              19
     1  C   -0.005640
     2  C    0.020861
     3  C    0.223647
     4  C    0.002039
     5  O   -0.000486
     6  O    0.001115
     7  O    0.008219
     8  H   -0.003208
     9  H    0.002375
    10  H   -0.000388
    11  H   -0.002593
    12  C    0.005994
    13  C   -0.092197
    14  H   -0.001980
    15  H    0.028109
    16  H   -0.024025
    17  H   -0.089832
    18  H   -0.022988
    19  H    0.801927
 Mulliken charges:
               1
     1  C    0.747016
     2  C    0.782597
     3  C   -5.095533
     4  C    1.584388
     5  O   -0.656716
     6  O   -0.533370
     7  O   -0.357030
     8  H   -0.027012
     9  H   -0.200212
    10  H   -0.164396
    11  H    0.221057
    12  C    1.731278
    13  C    1.643138
    14  H    0.030376
    15  H    0.064718
    16  H    0.062121
    17  H    0.024260
    18  H   -0.005730
    19  H    0.149050
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.747016
     2  C    0.755584
     3  C   -5.095533
     4  C    1.219780
     5  O   -0.656716
     6  O   -0.533370
     7  O   -0.135972
    12  C    1.888493
    13  C    1.810718
 Electronic spatial extent (au):  <R**2>=           1088.5260
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              3.6082    Y=             -0.9026    Z=             -0.7666  Tot=              3.7975
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -61.5467   YY=            -57.0220   ZZ=            -52.6323
   XY=             -4.4967   XZ=              0.9045   YZ=              0.7732
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -4.4797   YY=              0.0450   ZZ=              4.4347
   XY=             -4.4967   XZ=              0.9045   YZ=              0.7732
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             16.0233  YYY=             -3.5335  ZZZ=             -2.9719  XYY=             -3.3404
  XXY=              6.2567  XXZ=             -1.0067  XZZ=             -4.6298  YZZ=             -0.6850
  YYZ=              1.7228  XYZ=             -1.2706
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -817.0505 YYYY=           -431.8907 ZZZZ=           -239.9378 XXXY=             -9.2862
 XXXZ=              7.2747 YYYX=            -24.9486 YYYZ=              5.3418 ZZZX=             -1.8999
 ZZZY=             -0.0719 XXYY=           -182.0355 XXZZ=           -164.2062 YYZZ=           -110.1810
 XXYZ=             -0.0450 YYXZ=              0.0101 ZZXY=             -1.1702
 N-N= 4.972589408924D+02 E-N=-2.067265365135D+03  KE= 4.554748747206D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 16 13:29:00 2021, MaxMem=  5637144576 cpu:               8.3 elap:               1.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.35843125D+00-3.17516348D-01-2.85117247D-01
 Polarizability= 8.74530308D+01-4.41639386D+00 7.59242529D+01
                -1.64995895D+00 1.02113101D+00 6.90442118D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.9236    0.9241       -2.2017   -2.2022
 2     -0.9236   -0.9241       -0.4175   -0.4175       -5.9989   -5.9994
 3      2.2017    2.2022        9.7395    9.7413        0.4179    0.4175
 4      0.4175    0.4175        0.0000    0.0000        2.2035    2.2022
 5     -3.7405   -3.7419       -2.2035   -2.2022        0.9236    0.9241
 6     -0.4179   -0.4175       -0.9236   -0.9241        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -2.7723   -2.7723       -6.6066   -6.6066
 2      1.2525    1.2525       -0.0000    0.0000       -6.6066   -6.6066
 3      1.2525    1.2525       -2.7723   -2.7723       -0.0000    0.0000
 4     -2.7723   -2.7723       -1.2525   -1.2525      -17.9982  -17.9982
 5      6.6066    6.6066       29.2240   29.2240        1.2525    1.2525
 6    -11.2258  -11.2258       -6.6066   -6.6066        2.7723    2.7723
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0160    0.0000       -3.6949   -3.6964        8.8253    8.8087
 2      3.7137    3.6964        1.6620    1.6700       23.9723   23.9976
 3     -8.8301   -8.8087      -39.0057  -38.9654       -1.6598   -1.6700
 4     -1.6569   -1.6700       -0.0081    0.0000       -8.8418   -8.8087
 5     14.9954   14.9678        8.8020    8.8087       -3.6901   -3.6964
 6      1.6483    1.6700        3.6766    3.6964       -0.0074    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0127    0.0000      -14.8509  -14.8826       -2.2751   -2.2741
 2     14.8915   14.8826       16.9063   16.8615       -4.0737   -4.0815
 3      2.1955    2.2741        1.5968    1.6085      -16.9833  -16.8615
 4    -16.8760  -16.8615        0.0071    0.0000        2.2526    2.2741
 5      2.4678    2.4731       -2.2554   -2.2741      -14.8942  -14.8826
 6     16.9008   16.8615       14.8419   14.8826        0.0343    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -6.9344   -6.8861       -6.0342   -6.0132        2.8053    2.8358
 2    -32.0510  -31.9619      -20.6161  -20.6252        2.7837    2.8358
 3    -32.0068  -31.9619       -6.0227   -6.0132        5.3275    5.3863
 4     14.6243   14.6120       25.1008   25.0758       -1.4824   -1.4800
 5      2.5376    2.5505       -1.7481   -1.7363      -25.0367  -25.0758
 6      3.1600    3.2163       -2.5117   -2.5505      -14.6784  -14.6120
 Full mass-weighted force constant matrix:
 Low frequencies ---   -6.9763   -3.8367   -0.0006    0.0003    0.0006    5.5109
 Low frequencies ---   97.0353  188.6123  212.9301
 Diagonal vibrational polarizability:
        8.3247677      22.6362795      21.5526576
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     97.0351               188.6119               212.9300
 Red. masses --      5.5520                 3.5368                 1.2401
 Frc consts  --      0.0308                 0.0741                 0.0331
 IR Inten    --      0.4994                 1.8650                 1.4662
 RamAct Fr= 1--      0.5855                 0.6901                 0.1985
  Dep-P Fr= 1--      0.7415                 0.7194                 0.6608
  Dep-U Fr= 1--      0.8516                 0.8368                 0.7958
 Alpha2 Fr= 1--      0.0001                 0.0004                 0.0003
 Beta2  Fr= 1--      0.0831                 0.0962                 0.0263
 AlphaG Fr= 1--     -0.0001                -0.0019                -0.0021
 Gamma2 Fr= 1--      0.0058                -0.1487                -0.0329
 Delta2 Fr= 1--     -0.0036                -0.0725                 0.0397
 Raman1 Fr= 1--       2.342                  2.760                  0.794
 ROA1   Fr= 1--       0.444                -16.591                 -1.884
 CID1   Fr= 1--       0.190                 -6.011                 -2.373
 Raman2 Fr= 1--       0.997                  1.155                  0.316
 ROA2   Fr= 1--       0.169                 -2.988                 -1.107
 CID2   Fr= 1--       0.170                 -2.587                 -3.503
 Raman3 Fr= 1--       1.994                  2.310                  0.632
 ROA3   Fr= 1--       0.444                -16.591                 -1.884
 CID3   Fr= 1--       0.223                 -7.183                 -2.982
 RC180  Fr= 1--       0.703                  0.674                  0.592
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.01   0.07    -0.02   0.01   0.05    -0.01  -0.00  -0.00
     2   6     0.00  -0.04  -0.09    -0.00  -0.02   0.01     0.00  -0.02   0.00
     3   6    -0.02  -0.01  -0.01     0.00  -0.01  -0.01    -0.01  -0.02   0.00
     4   6     0.01   0.00  -0.15    -0.02   0.02  -0.08    -0.00  -0.03   0.02
     5   8     0.01  -0.02  -0.07     0.03   0.04   0.27    -0.02  -0.01  -0.03
     6   8     0.09   0.05   0.33    -0.06  -0.02  -0.15    -0.00   0.00   0.01
     7   8     0.02   0.02  -0.28     0.09   0.01  -0.07     0.08  -0.02   0.02
     8   1    -0.01  -0.19  -0.08    -0.02  -0.09   0.01    -0.01  -0.01   0.00
     9   1     0.04  -0.07  -0.24     0.13  -0.08  -0.27    -0.04  -0.01   0.05
    10   1    -0.03   0.12  -0.20    -0.28   0.15  -0.17     0.03  -0.06   0.04
    11   1     0.06  -0.03  -0.01     0.07   0.16  -0.27     0.08   0.06  -0.03
    12   6    -0.21  -0.10   0.03     0.01  -0.19   0.02    -0.01   0.00  -0.00
    13   6     0.05   0.08   0.16    -0.03   0.15  -0.00    -0.04   0.08  -0.02
    14   1    -0.25  -0.21  -0.08     0.08  -0.42   0.01    -0.11   0.24  -0.04
    15   1    -0.31  -0.09   0.12    -0.14  -0.19   0.17     0.23  -0.04  -0.03
    16   1    -0.21  -0.06   0.09     0.12  -0.12  -0.10    -0.17  -0.18   0.06
    17   1     0.19   0.14   0.13    -0.02   0.21  -0.02     0.09  -0.34   0.04
    18   1     0.04   0.10   0.23     0.05   0.24  -0.05     0.13   0.47   0.26
    19   1    -0.02   0.09   0.26    -0.17   0.18   0.05    -0.38   0.22  -0.37
                      4                      5                      6
                      A                      A                      A
 Frequencies --    230.2449               257.9348               260.7104
 Red. masses --      1.6968                 2.4618                 1.7837
 Frc consts  --      0.0530                 0.0965                 0.0714
 IR Inten    --      2.4795                26.0061                 4.1396
 RamAct Fr= 1--      0.1383                 0.0958                 0.3387
  Dep-P Fr= 1--      0.6840                 0.3611                 0.3222
  Dep-U Fr= 1--      0.8123                 0.5306                 0.4874
 Alpha2 Fr= 1--      0.0002                 0.0008                 0.0032
 Beta2  Fr= 1--      0.0187                 0.0085                 0.0275
 AlphaG Fr= 1--      0.0020                 0.0058                -0.0067
 Gamma2 Fr= 1--     -0.1011                -0.0431                 0.0562
 Delta2 Fr= 1--     -0.1268                -0.0350                 0.0086
 Raman1 Fr= 1--       0.553                  0.383                  1.355
 ROA1   Fr= 1--     -13.764                 -5.255                  5.667
 CID1   Fr= 1--     -24.876                -13.713                  4.183
 Raman2 Fr= 1--       0.225                  0.102                  0.330
 ROA2   Fr= 1--      -1.412                 -0.753                  1.279
 CID2   Fr= 1--      -6.284                 -7.411                  3.873
 Raman3 Fr= 1--       0.449                  0.203                  0.660
 ROA3   Fr= 1--     -13.764                 -5.255                  5.667
 CID3   Fr= 1--     -30.623                -25.843                  8.583
 RC180  Fr= 1--       0.625                  0.061                 -0.025
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.00   0.00    -0.04  -0.02   0.04    -0.02   0.00   0.01
     2   6    -0.00   0.03  -0.04    -0.02  -0.00   0.01    -0.01  -0.00   0.05
     3   6     0.01   0.02  -0.05    -0.03   0.01  -0.02     0.00   0.01   0.06
     4   6     0.00   0.04  -0.08     0.01   0.01   0.00    -0.00   0.01   0.03
     5   8     0.04   0.02   0.11     0.01  -0.02  -0.03    -0.02  -0.01  -0.06
     6   8     0.01  -0.01  -0.01    -0.07  -0.13   0.02    -0.03  -0.02  -0.01
     7   8    -0.06  -0.01   0.05     0.23   0.03   0.04    -0.04   0.04  -0.12
     8   1    -0.03   0.08  -0.04    -0.10  -0.02   0.01     0.03  -0.11   0.05
     9   1     0.11  -0.01  -0.20     0.02   0.04   0.02    -0.04   0.01   0.04
    10   1    -0.13   0.12  -0.14     0.04  -0.01   0.01     0.06   0.02   0.04
    11   1    -0.08  -0.06   0.03     0.22   0.37  -0.33    -0.04   0.01  -0.07
    12   6    -0.07   0.01  -0.04    -0.10   0.09  -0.02     0.14  -0.07   0.07
    13   6     0.07  -0.07   0.03    -0.03   0.01  -0.01    -0.03   0.04   0.01
    14   1    -0.26   0.45  -0.15    -0.17   0.24  -0.07     0.05   0.33   0.09
    15   1     0.38  -0.07  -0.07     0.02   0.07  -0.08     0.63  -0.16   0.08
    16   1    -0.39  -0.34   0.10    -0.20   0.01   0.08    -0.10  -0.44   0.03
    17   1     0.15  -0.10   0.02    -0.15   0.36  -0.06    -0.14   0.25  -0.01
    18   1    -0.00  -0.13   0.11    -0.13  -0.26  -0.26    -0.05  -0.09  -0.17
    19   1     0.15  -0.09   0.01     0.18  -0.08   0.29     0.06  -0.01   0.18
                      7                      8                      9
                      A                      A                      A
 Frequencies --    299.7248               344.2964               358.3916
 Red. masses --      2.3410                 2.4059                 1.1906
 Frc consts  --      0.1239                 0.1680                 0.0901
 IR Inten    --      5.6531                 6.1980                69.7190
 RamAct Fr= 1--      1.0649                 0.7436                 1.0259
  Dep-P Fr= 1--      0.3446                 0.6153                 0.7241
  Dep-U Fr= 1--      0.5126                 0.7618                 0.8400
 Alpha2 Fr= 1--      0.0095                 0.0018                 0.0005
 Beta2  Fr= 1--      0.0910                 0.0944                 0.1436
 AlphaG Fr= 1--     -0.0069                 0.0028                -0.0081
 Gamma2 Fr= 1--     -0.1734                -0.1677                 0.0835
 Delta2 Fr= 1--     -0.0800                -0.0563                 0.0816
 Raman1 Fr= 1--       4.260                  2.975                  4.104
 ROA1   Fr= 1--     -19.203                -17.899                 10.623
 CID1   Fr= 1--      -4.508                 -6.018                  2.589
 Raman2 Fr= 1--       1.092                  1.133                  1.724
 ROA2   Fr= 1--      -3.521                 -3.573                  1.350
 CID2   Fr= 1--      -3.225                 -3.154                  0.783
 Raman3 Fr= 1--       2.184                  2.266                  3.447
 ROA3   Fr= 1--     -19.203                -17.899                 10.623
 CID3   Fr= 1--      -8.794                 -7.899                  3.082
 RC180  Fr= 1--       0.025                  0.524                  0.680
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.01  -0.05    -0.05  -0.02   0.00    -0.02  -0.01  -0.01
     2   6     0.03  -0.06  -0.05    -0.02  -0.07  -0.02    -0.00   0.00   0.01
     3   6     0.01  -0.04  -0.03    -0.01  -0.04  -0.02    -0.00  -0.02  -0.00
     4   6     0.01  -0.07   0.08    -0.07  -0.04  -0.08    -0.01  -0.01  -0.01
     5   8    -0.01  -0.02   0.04    -0.08  -0.03   0.00    -0.01   0.00   0.02
     6   8     0.10   0.14  -0.01    -0.03   0.05   0.01    -0.03  -0.04  -0.02
     7   8    -0.02  -0.10   0.05     0.01  -0.10   0.04     0.05   0.03  -0.04
     8   1     0.05   0.01  -0.05    -0.03  -0.07  -0.02    -0.01   0.02   0.01
     9   1    -0.04   0.01   0.20    -0.05  -0.12  -0.18    -0.01  -0.04  -0.05
    10   1     0.04  -0.21   0.14    -0.14   0.06  -0.13    -0.05   0.02  -0.03
    11   1    -0.01  -0.21   0.16    -0.03   0.01  -0.28     0.19  -0.21   0.93
    12   6    -0.09  -0.01  -0.03     0.14   0.12  -0.08     0.01   0.03  -0.02
    13   6    -0.05   0.14  -0.05     0.07   0.08   0.15     0.00   0.01   0.02
    14   1    -0.18   0.14  -0.11     0.24   0.21   0.11     0.02   0.08   0.01
    15   1     0.04  -0.03  -0.04     0.15   0.15  -0.29     0.02   0.04  -0.09
    16   1    -0.22  -0.12   0.08     0.23   0.21  -0.12     0.01   0.06   0.01
    17   1    -0.20   0.54  -0.11     0.29   0.23   0.10     0.02   0.06   0.01
    18   1    -0.01  -0.00  -0.39     0.04   0.09   0.23     0.01   0.01   0.01
    19   1    -0.03   0.09   0.29    -0.02   0.08   0.37    -0.02   0.01   0.08
                     10                     11                     12
                      A                      A                      A
 Frequencies --    385.4662               512.1437               547.9256
 Red. masses --      2.2147                 4.2067                 5.0902
 Frc consts  --      0.1939                 0.6501                 0.9004
 IR Inten    --      0.5740                10.6986                 2.0701
 RamAct Fr= 1--      0.6921                 1.5759                 3.0536
  Dep-P Fr= 1--      0.4707                 0.2037                 0.6336
  Dep-U Fr= 1--      0.6401                 0.3385                 0.7757
 Alpha2 Fr= 1--      0.0039                 0.0212                 0.0064
 Beta2  Fr= 1--      0.0738                 0.0889                 0.3948
 AlphaG Fr= 1--      0.0150                -0.0563                 0.0200
 Gamma2 Fr= 1--      0.1788                -0.0999                 0.6283
 Delta2 Fr= 1--     -0.0802                -0.0882                 0.1714
 Raman1 Fr= 1--       2.769                  6.304                 12.214
 ROA1   Fr= 1--      14.602                -12.409                 65.798
 CID1   Fr= 1--       5.274                 -1.969                  5.387
 Raman2 Fr= 1--       0.886                  1.067                  4.738
 ROA2   Fr= 1--       4.934                 -1.691                 13.707
 CID2   Fr= 1--       5.569                 -1.585                  2.893
 Raman3 Fr= 1--       1.772                  2.134                  9.475
 ROA3   Fr= 1--      14.602                -12.409                 65.798
 CID3   Fr= 1--       8.240                 -5.816                  6.944
 RC180  Fr= 1--       0.280                 -0.323                  0.551
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.02  -0.03    -0.01   0.01   0.27     0.17  -0.01   0.05
     2   6    -0.04   0.05  -0.09     0.00  -0.04   0.24     0.02   0.15   0.09
     3   6    -0.01   0.03  -0.12     0.16  -0.03  -0.06    -0.10  -0.14  -0.04
     4   6     0.00  -0.02   0.14     0.01  -0.07  -0.00    -0.06  -0.22  -0.03
     5   8    -0.01   0.04   0.01    -0.06  -0.05  -0.07     0.03  -0.10   0.03
     6   8    -0.05  -0.06   0.04    -0.08   0.06  -0.10     0.17  -0.04  -0.06
     7   8    -0.00   0.04   0.02    -0.06   0.05  -0.04    -0.06   0.28  -0.00
     8   1    -0.10   0.12  -0.09    -0.29  -0.23   0.22    -0.04   0.21   0.09
     9   1    -0.08   0.22   0.43    -0.08  -0.04   0.08     0.01  -0.14   0.01
    10   1     0.11  -0.37   0.28     0.00  -0.17   0.04    -0.06  -0.28  -0.01
    11   1     0.00   0.06   0.04    -0.07  -0.03  -0.01    -0.11   0.23  -0.18
    12   6     0.03  -0.12  -0.12    -0.07   0.01  -0.06    -0.01   0.00  -0.13
    13   6     0.11   0.04   0.06     0.22   0.05  -0.10    -0.16  -0.02   0.10
    14   1     0.05  -0.20  -0.11    -0.23   0.02  -0.30     0.05   0.15   0.03
    15   1     0.06  -0.15   0.05    -0.20   0.03  -0.07     0.01   0.04  -0.41
    16   1     0.03  -0.20  -0.26    -0.18   0.07   0.25     0.05   0.11  -0.10
    17   1     0.34   0.08   0.03     0.25   0.08  -0.11    -0.04   0.09   0.07
    18   1     0.02   0.02   0.22     0.26   0.09  -0.11    -0.11   0.06   0.13
    19   1     0.09   0.03   0.17     0.16   0.06  -0.07    -0.32   0.00   0.25
                     13                     14                     15
                      A                      A                      A
 Frequencies --    562.8795               651.0688               721.8594
 Red. masses --      3.5193                 6.7744                 6.2981
 Frc consts  --      0.6570                 1.6919                 1.9336
 IR Inten    --      7.8879                 1.9480                 3.5348
 RamAct Fr= 1--      2.3867                 5.2500                12.6960
  Dep-P Fr= 1--      0.1320                 0.1630                 0.1077
  Dep-U Fr= 1--      0.2333                 0.2803                 0.1945
 Alpha2 Fr= 1--      0.0386                 0.0785                 0.2181
 Beta2  Fr= 1--      0.0928                 0.2453                 0.4116
 AlphaG Fr= 1--      0.0429                -0.0097                 0.0911
 Gamma2 Fr= 1--     -0.3125                 0.1123                -0.4705
 Delta2 Fr= 1--      0.1603                 0.2133                -0.2992
 Raman1 Fr= 1--       9.547                 21.000                 50.784
 ROA1   Fr= 1--     -24.874                 17.607                -54.749
 CID1   Fr= 1--      -2.606                  0.838                 -1.078
 Raman2 Fr= 1--       1.113                  2.943                  4.939
 ROA2   Fr= 1--      -8.783                  0.989                 -8.899
 CID2   Fr= 1--      -7.888                  0.336                 -1.802
 Raman3 Fr= 1--       2.227                  5.887                  9.878
 ROA3   Fr= 1--     -24.874                 17.607                -54.749
 CID3   Fr= 1--     -11.170                  2.991                 -5.542
 RC180  Fr= 1--      -0.533                 -0.439                 -0.611
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.08   0.13     0.04   0.23   0.15    -0.25  -0.05  -0.20
     2   6    -0.14  -0.06   0.05    -0.02  -0.08   0.06    -0.15   0.01  -0.03
     3   6    -0.13   0.12  -0.06    -0.02  -0.19   0.00     0.05  -0.17   0.04
     4   6     0.13   0.10   0.00     0.14  -0.04  -0.03     0.30  -0.17  -0.05
     5   8     0.07  -0.13  -0.03     0.23   0.36  -0.09     0.15  -0.07   0.05
     6   8     0.04   0.18  -0.09    -0.10  -0.03  -0.03    -0.19   0.20   0.08
     7   8     0.06  -0.04  -0.01    -0.05  -0.16  -0.02    -0.01   0.15   0.02
     8   1    -0.37  -0.16   0.04    -0.13  -0.26   0.05     0.05   0.21  -0.01
     9   1     0.27   0.24   0.06    -0.05  -0.07   0.07     0.25  -0.22  -0.06
    10   1     0.20   0.08   0.03     0.18  -0.14   0.01     0.27  -0.16  -0.06
    11   1     0.11   0.08   0.22    -0.06  -0.20  -0.06    -0.00   0.31  -0.05
    12   6    -0.00  -0.02  -0.07    -0.02  -0.04  -0.11     0.02  -0.02   0.07
    13   6    -0.10  -0.04   0.07    -0.17  -0.07   0.10     0.05  -0.02  -0.02
    14   1     0.09  -0.09   0.03     0.00   0.12  -0.02    -0.02   0.13   0.07
    15   1     0.10  -0.06   0.07    -0.02   0.01  -0.41    -0.03   0.04  -0.19
    16   1     0.04  -0.14  -0.32     0.02   0.09   0.00     0.02   0.13   0.29
    17   1     0.04  -0.15   0.08    -0.15  -0.00   0.09    -0.00   0.02  -0.03
    18   1    -0.28  -0.16   0.28    -0.11  -0.00   0.07     0.15   0.04  -0.12
    19   1     0.08  -0.09   0.02    -0.29  -0.05   0.19    -0.05  -0.00   0.00
                     16                     17                     18
                      A                      A                      A
 Frequencies --    808.8596               894.6888               914.4906
 Red. masses --      3.3019                 4.3023                 2.2306
 Frc consts  --      1.2728                 2.0291                 1.0991
 IR Inten    --      0.8868                 2.9773                 9.3222
 RamAct Fr= 1--      8.1860                 1.7307                 2.2175
  Dep-P Fr= 1--      0.1234                 0.2191                 0.4374
  Dep-U Fr= 1--      0.2196                 0.3594                 0.6086
 Alpha2 Fr= 1--      0.1353                 0.0223                 0.0143
 Beta2  Fr= 1--      0.2996                 0.1037                 0.2249
 AlphaG Fr= 1--     -0.0653                 0.0124                -0.0341
 Gamma2 Fr= 1--     -0.1323                -0.2935                 1.0273
 Delta2 Fr= 1--      0.4082                -0.3883                 0.3491
 Raman1 Fr= 1--      32.744                  6.923                  8.870
 ROA1   Fr= 1--       0.357                -40.606                109.793
 CID1   Fr= 1--       0.011                 -5.866                 12.378
 Raman2 Fr= 1--       3.596                  1.244                  2.699
 ROA2   Fr= 1--      -6.442                 -3.938                 21.863
 CID2   Fr= 1--      -1.791                 -3.166                  8.100
 Raman3 Fr= 1--       7.192                  2.488                  5.398
 ROA3   Fr= 1--       0.357                -40.606                109.793
 CID3   Fr= 1--       0.050                -16.320                 20.339
 RC180  Fr= 1--      -0.561                 -0.281                  0.217
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.05   0.11     0.02  -0.04  -0.28    -0.04   0.03   0.01
     2   6    -0.16   0.02  -0.16    -0.19  -0.10   0.30     0.17   0.01   0.05
     3   6    -0.06   0.02  -0.07    -0.04   0.05  -0.00    -0.01   0.13  -0.04
     4   6    -0.03  -0.17  -0.07    -0.10  -0.05  -0.02     0.03  -0.15  -0.12
     5   8     0.03   0.05  -0.02     0.07   0.12   0.03    -0.01  -0.02   0.03
     6   8     0.05  -0.01  -0.05     0.13  -0.01   0.03    -0.08   0.01   0.02
     7   8     0.00  -0.02   0.02     0.02  -0.03  -0.04     0.00  -0.02  -0.01
     8   1    -0.48   0.02  -0.18    -0.06  -0.20   0.30     0.32   0.01   0.05
     9   1    -0.10  -0.13   0.02    -0.21  -0.02   0.06     0.02   0.10   0.14
    10   1    -0.06  -0.33  -0.03    -0.10  -0.18   0.02     0.02  -0.49  -0.01
    11   1     0.04   0.14   0.10     0.08   0.34   0.03    -0.04  -0.24  -0.05
    12   6     0.01   0.06   0.26     0.00  -0.00  -0.01    -0.00   0.04   0.01
    13   6     0.06   0.02  -0.06     0.04   0.07  -0.06    -0.07   0.07   0.03
    14   1     0.11   0.04   0.41    -0.05   0.02  -0.08     0.00  -0.03  -0.02
    15   1     0.12   0.03   0.31    -0.04   0.01  -0.02     0.03   0.01   0.16
    16   1     0.06   0.00   0.07    -0.02   0.02   0.07    -0.01  -0.04  -0.08
    17   1     0.15   0.00  -0.06     0.27  -0.09  -0.06    -0.06  -0.19   0.07
    18   1    -0.01  -0.03   0.02    -0.24  -0.15   0.22    -0.36  -0.21   0.19
    19   1     0.15   0.00  -0.06     0.37  -0.02  -0.09     0.36  -0.02  -0.18
                     19                     20                     21
                      A                      A                      A
 Frequencies --    950.3410               969.4609              1007.1773
 Red. masses --      1.6842                 1.3779                 2.0948
 Frc consts  --      0.8962                 0.7630                 1.2520
 IR Inten    --      0.2404                 0.6954                17.7927
 RamAct Fr= 1--      3.6442                 1.4137                 1.7822
  Dep-P Fr= 1--      0.6441                 0.7473                 0.7481
  Dep-U Fr= 1--      0.7835                 0.8554                 0.8559
 Alpha2 Fr= 1--      0.0070                 0.0001                 0.0001
 Beta2  Fr= 1--      0.4759                 0.2015                 0.2542
 AlphaG Fr= 1--     -0.0052                -0.0004                 0.0006
 Gamma2 Fr= 1--     -0.5261                 0.0136                -1.1032
 Delta2 Fr= 1--     -0.6703                 0.0282                -0.3210
 Raman1 Fr= 1--      14.577                  5.655                  7.129
 ROA1   Fr= 1--     -71.951                  2.205               -116.176
 CID1   Fr= 1--      -4.936                  0.390                -16.296
 Raman2 Fr= 1--       5.711                  2.418                  3.051
 ROA2   Fr= 1--      -7.263                  0.100                -23.908
 CID2   Fr= 1--      -1.272                  0.041                 -7.836
 Raman3 Fr= 1--      11.421                  4.837                  6.102
 ROA3   Fr= 1--     -71.951                  2.205               -116.176
 CID3   Fr= 1--      -6.300                  0.456                -19.040
 RC180  Fr= 1--       0.567                  0.711                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03  -0.01     0.00  -0.01   0.00    -0.04   0.01  -0.00
     2   6     0.05   0.00   0.04     0.01   0.00   0.01     0.10  -0.01   0.05
     3   6    -0.03  -0.06  -0.10    -0.07  -0.02   0.04    -0.10  -0.02  -0.01
     4   6    -0.03   0.12  -0.08    -0.01   0.03  -0.03    -0.10  -0.03   0.07
     5   8     0.01  -0.01   0.02     0.00  -0.00   0.01     0.14  -0.03  -0.02
     6   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.05   0.03   0.01
     7   8     0.00  -0.00  -0.01     0.00  -0.00  -0.00    -0.00   0.01  -0.00
     8   1     0.06   0.01   0.03     0.05  -0.01   0.02     0.17   0.00   0.06
     9   1     0.10   0.53   0.25     0.02   0.20   0.11     0.02  -0.15  -0.12
    10   1     0.03  -0.31   0.08     0.03  -0.14   0.03    -0.02   0.22  -0.01
    11   1    -0.01  -0.08  -0.03     0.00  -0.01  -0.00    -0.03  -0.18  -0.04
    12   6     0.03  -0.03   0.11    -0.10  -0.06  -0.01    -0.08   0.07   0.01
    13   6    -0.04  -0.05  -0.05     0.10   0.04   0.01     0.04  -0.03  -0.10
    14   1    -0.03   0.14   0.10     0.16   0.18   0.50     0.13  -0.10   0.27
    15   1    -0.08   0.04  -0.16     0.12  -0.03  -0.44     0.17  -0.02   0.26
    16   1     0.03   0.14   0.34     0.14   0.09  -0.27     0.00  -0.15  -0.48
    17   1     0.30   0.13  -0.12    -0.26  -0.09   0.07     0.38   0.18  -0.17
    18   1    -0.02   0.08   0.13     0.17  -0.01  -0.24     0.07   0.11   0.08
    19   1    -0.24  -0.03   0.24     0.17   0.05  -0.26    -0.17  -0.01   0.20
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1026.5317              1049.4553              1130.4699
 Red. masses --      3.3424                 1.5872                 3.9577
 Frc consts  --      2.0751                 1.0299                 2.9800
 IR Inten    --     74.3845                14.1897               252.7943
 RamAct Fr= 1--      1.5246                 0.7130                 2.3510
  Dep-P Fr= 1--      0.7055                 0.7272                 0.4002
  Dep-U Fr= 1--      0.8273                 0.8420                 0.5716
 Alpha2 Fr= 1--      0.0012                 0.0003                 0.0174
 Beta2  Fr= 1--      0.2102                 0.1001                 0.2240
 AlphaG Fr= 1--      0.0092                 0.0005                -0.0348
 Gamma2 Fr= 1--      1.4955                -0.3091                -0.1728
 Delta2 Fr= 1--      0.0547                 0.1201                 0.5163
 Raman1 Fr= 1--       6.098                  2.852                  9.404
 ROA1   Fr= 1--     145.322                -25.832                 -0.068
 CID1   Fr= 1--      23.830                 -9.057                 -0.007
 Raman2 Fr= 1--       2.523                  1.201                  2.688
 ROA2   Fr= 1--      35.455                 -8.379                 -8.278
 CID2   Fr= 1--      14.055                 -6.978                 -3.080
 Raman3 Fr= 1--       5.045                  2.402                  5.376
 ROA3   Fr= 1--     145.322                -25.832                 -0.068
 CID3   Fr= 1--      28.804                -10.756                 -0.013
 RC180  Fr= 1--       0.655                  0.684                  0.143
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.06  -0.03     0.00  -0.02  -0.05     0.04   0.24  -0.03
     2   6     0.02  -0.02   0.05    -0.01  -0.02   0.06    -0.07   0.27   0.09
     3   6    -0.09  -0.05  -0.01     0.03   0.01  -0.03    -0.07   0.03   0.05
     4   6     0.28  -0.01   0.04     0.06  -0.01  -0.09    -0.01  -0.08   0.00
     5   8    -0.24   0.06   0.02    -0.06   0.04   0.03    -0.01  -0.13   0.02
     6   8     0.03  -0.06   0.00     0.02  -0.01   0.01    -0.02  -0.02   0.00
     7   8    -0.00   0.01  -0.00     0.00   0.00  -0.01    -0.01  -0.22  -0.08
     8   1     0.06  -0.01   0.05    -0.15  -0.03   0.05     0.24   0.23   0.09
     9   1     0.27  -0.20  -0.15     0.00   0.16   0.11     0.49   0.17  -0.04
    10   1     0.09   0.27  -0.08     0.05  -0.25  -0.00     0.09   0.00  -0.01
    11   1    -0.03  -0.10  -0.05     0.00   0.02  -0.01     0.13   0.42   0.11
    12   6    -0.07  -0.00   0.03    -0.03   0.10  -0.01     0.03  -0.01  -0.03
    13   6    -0.01   0.01  -0.12     0.02  -0.09   0.06     0.05  -0.04  -0.01
    14   1     0.09   0.04   0.29     0.05  -0.18  -0.01    -0.05  -0.01  -0.15
    15   1     0.10  -0.02  -0.09     0.13   0.00   0.42    -0.06   0.01   0.01
    16   1     0.05  -0.01  -0.21    -0.05  -0.17  -0.34    -0.03   0.02   0.14
    17   1     0.48   0.06  -0.17    -0.26   0.12   0.05     0.03   0.10  -0.03
    18   1    -0.21  -0.04   0.27     0.35   0.17  -0.25     0.21   0.12  -0.10
    19   1     0.06  -0.05   0.16    -0.37   0.02   0.07    -0.12   0.01   0.03
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1180.5115              1192.6554              1226.0178
 Red. masses --      1.8675                 2.5416                 1.5189
 Frc consts  --      1.5334                 2.1300                 1.3452
 IR Inten    --     15.7494                19.9778                22.9007
 RamAct Fr= 1--      4.2157                 2.5817                 1.1958
  Dep-P Fr= 1--      0.7450                 0.6923                 0.7415
  Dep-U Fr= 1--      0.8539                 0.8182                 0.8516
 Alpha2 Fr= 1--      0.0004                 0.0026                 0.0002
 Beta2  Fr= 1--      0.5999                 0.3520                 0.1697
 AlphaG Fr= 1--      0.0090                -0.0070                 0.0018
 Gamma2 Fr= 1--     -0.2424                 0.0896                 0.4161
 Delta2 Fr= 1--     -0.3047                -0.0650                -0.0236
 Raman1 Fr= 1--      16.863                 10.327                  4.783
 ROA1   Fr= 1--     -33.025                  6.517                 39.193
 CID1   Fr= 1--      -1.958                  0.631                  8.194
 Raman2 Fr= 1--       7.199                  4.225                  2.037
 ROA2   Fr= 1--      -3.381                  2.670                 10.176
 CID2   Fr= 1--      -0.470                  0.632                  4.996
 Raman3 Fr= 1--      14.398                  8.449                  4.073
 ROA3   Fr= 1--     -33.025                  6.517                 39.193
 CID3   Fr= 1--      -2.294                  0.771                  9.622
 RC180  Fr= 1--       0.708                  0.636                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.14   0.10     0.03   0.18   0.01     0.00   0.03  -0.02
     2   6    -0.05   0.05  -0.04    -0.04  -0.17  -0.09     0.02   0.08   0.02
     3   6    -0.05   0.06   0.12    -0.05  -0.09   0.13     0.09  -0.10  -0.00
     4   6     0.03  -0.01  -0.07    -0.04   0.03  -0.09    -0.01   0.06  -0.05
     5   8    -0.01   0.06   0.01    -0.00  -0.06   0.03    -0.00  -0.05   0.05
     6   8     0.01   0.01  -0.02     0.01  -0.02  -0.01    -0.00  -0.00   0.00
     7   8     0.00  -0.03  -0.01    -0.03   0.09   0.06     0.00  -0.04  -0.02
     8   1     0.59   0.18   0.00     0.33  -0.46  -0.05    -0.37   0.21  -0.00
     9   1    -0.52  -0.13   0.13     0.10   0.35   0.15    -0.54  -0.09   0.11
    10   1     0.25  -0.12   0.00     0.42  -0.02   0.02     0.56   0.14   0.03
    11   1     0.05   0.19   0.05     0.00   0.20   0.11     0.00  -0.03  -0.03
    12   6     0.00  -0.01  -0.04     0.03   0.05  -0.04    -0.03   0.03   0.00
    13   6     0.01  -0.04  -0.06     0.03   0.03  -0.04    -0.04   0.04  -0.01
    14   1    -0.02   0.01  -0.07    -0.02  -0.14  -0.20     0.05  -0.07   0.09
    15   1    -0.04  -0.00  -0.04    -0.02   0.02   0.18     0.10  -0.01   0.05
    16   1    -0.01  -0.01  -0.01    -0.09  -0.13  -0.05    -0.00  -0.04  -0.14
    17   1     0.22   0.12  -0.11     0.13  -0.04  -0.04     0.04  -0.10   0.01
    18   1     0.07   0.10   0.05    -0.03  -0.02   0.01    -0.17  -0.09   0.09
    19   1    -0.09  -0.03   0.12     0.15  -0.00  -0.02     0.13  -0.01   0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1246.3210              1259.2052              1312.8070
 Red. masses --      1.6359                 2.3023                 1.9000
 Frc consts  --      1.4971                 2.1509                 1.9293
 IR Inten    --      5.9440                41.7650                 8.5763
 RamAct Fr= 1--      2.7957                 4.5328                 4.2577
  Dep-P Fr= 1--      0.7064                 0.5957                 0.7137
  Dep-U Fr= 1--      0.8280                 0.7466                 0.8329
 Alpha2 Fr= 1--      0.0021                 0.0130                 0.0027
 Beta2  Fr= 1--      0.3858                 0.5641                 0.5911
 AlphaG Fr= 1--     -0.0034                -0.0018                -0.0129
 Gamma2 Fr= 1--     -0.8903                -1.7719                 1.8444
 Delta2 Fr= 1--     -0.6600                -0.8463                 0.8845
 Raman1 Fr= 1--      11.183                 18.131                 17.031
 ROA1   Fr= 1--    -106.586               -197.185                205.367
 CID1   Fr= 1--      -9.531                -10.875                 12.059
 Raman2 Fr= 1--       4.629                  6.769                  7.093
 ROA2   Fr= 1--     -16.087                -35.756                 37.189
 CID2   Fr= 1--      -3.475                 -5.282                  5.243
 Raman3 Fr= 1--       9.259                 13.538                 14.185
 ROA3   Fr= 1--    -106.586               -197.185                205.367
 CID3   Fr= 1--     -11.512                -14.566                 14.477
 RC180  Fr= 1--       0.656                  0.493                  0.666
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.05  -0.05     0.01   0.07  -0.02    -0.01  -0.06  -0.02
     2   6     0.04  -0.00  -0.01    -0.01  -0.05  -0.03    -0.01   0.10  -0.03
     3   6    -0.07   0.16   0.05     0.25   0.13   0.02     0.04  -0.05   0.22
     4   6    -0.00  -0.06  -0.03    -0.02  -0.01  -0.00     0.00   0.01  -0.03
     5   8     0.00  -0.02   0.03     0.00  -0.04  -0.00     0.01   0.01  -0.02
     6   8    -0.01  -0.01   0.01    -0.01  -0.00   0.00    -0.00   0.01   0.00
     7   8     0.02   0.02   0.02    -0.04  -0.00   0.02     0.02  -0.01   0.00
     8   1    -0.48  -0.38  -0.03     0.07  -0.21  -0.02    -0.47  -0.14  -0.06
     9   1    -0.19  -0.11   0.03    -0.03  -0.05  -0.03     0.24   0.20   0.03
    10   1     0.38   0.12  -0.02    -0.16  -0.14   0.01    -0.45  -0.34   0.02
    11   1    -0.06  -0.35  -0.07     0.08   0.51   0.16    -0.04  -0.29  -0.08
    12   6     0.03  -0.07  -0.01    -0.10  -0.05   0.01    -0.01   0.02  -0.05
    13   6     0.02  -0.06  -0.01    -0.08  -0.06  -0.03    -0.02   0.02  -0.07
    14   1    -0.07   0.15  -0.06     0.06   0.10   0.30     0.00  -0.11  -0.09
    15   1    -0.11  -0.00  -0.21     0.19  -0.05  -0.26     0.05  -0.00  -0.01
    16   1     0.05   0.10   0.15     0.15   0.13  -0.25    -0.03  -0.08  -0.15
    17   1     0.03   0.18  -0.05     0.09   0.08  -0.06     0.21  -0.03  -0.07
    18   1     0.15   0.13  -0.01    -0.09   0.07   0.21    -0.06   0.06   0.13
    19   1    -0.17  -0.01   0.05    -0.19  -0.06   0.25     0.15  -0.05   0.14
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1367.0538              1394.9468              1399.9303
 Red. masses --      1.3478                 1.6177                 1.4516
 Frc consts  --      1.4840                 1.8546                 1.6761
 IR Inten    --      4.2964                 6.5224                13.0925
 RamAct Fr= 1--      2.5693                 1.9865                 0.8860
  Dep-P Fr= 1--      0.5779                 0.4770                 0.7498
  Dep-U Fr= 1--      0.7325                 0.6459                 0.8570
 Alpha2 Fr= 1--      0.0083                 0.0109                 0.0000
 Beta2  Fr= 1--      0.3137                 0.2139                 0.1266
 AlphaG Fr= 1--      0.0226                 0.0115                 0.0008
 Gamma2 Fr= 1--      1.5890                -0.5654                 0.6932
 Delta2 Fr= 1--      0.7298                 0.1072                 0.3487
 Raman1 Fr= 1--      10.277                  7.946                  3.544
 ROA1   Fr= 1--     175.896                -50.843                 77.707
 CID1   Fr= 1--      17.115                 -6.399                 21.926
 Raman2 Fr= 1--       3.764                  2.566                  1.519
 ROA2   Fr= 1--      32.298                -14.427                 13.848
 CID2   Fr= 1--       8.581                 -5.622                  9.118
 Raman3 Fr= 1--       7.528                  5.133                  3.037
 ROA3   Fr= 1--     175.896                -50.843                 77.707
 CID3   Fr= 1--      23.366                 -9.906                 25.584
 RC180  Fr= 1--       0.465                  0.292                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01   0.01    -0.03  -0.13   0.01    -0.00   0.02  -0.01
     2   6     0.04  -0.12   0.00     0.11   0.08  -0.02     0.12  -0.03  -0.00
     3   6     0.01   0.04   0.06    -0.00  -0.04  -0.02    -0.09  -0.01   0.01
     4   6    -0.05  -0.06  -0.01    -0.04  -0.07   0.00     0.05   0.05   0.00
     5   8    -0.01   0.04  -0.00    -0.02   0.08  -0.00     0.01  -0.02  -0.00
     6   8     0.00   0.00  -0.00     0.00   0.01   0.00    -0.01   0.00   0.00
     7   8    -0.01   0.00  -0.02    -0.04  -0.02   0.01    -0.04  -0.02  -0.00
     8   1    -0.28   0.78  -0.01    -0.15  -0.50  -0.03    -0.27   0.01  -0.02
     9   1     0.33   0.23   0.05     0.32   0.19   0.04    -0.25  -0.17  -0.03
    10   1     0.22   0.17  -0.04     0.32   0.28  -0.04    -0.25  -0.18   0.02
    11   1     0.02   0.11   0.00     0.08   0.52   0.16     0.07   0.51   0.14
    12   6     0.01  -0.01  -0.00    -0.01   0.00  -0.02     0.04   0.02   0.07
    13   6    -0.01  -0.01  -0.02    -0.02   0.02   0.01     0.01   0.00   0.00
    14   1    -0.03   0.03  -0.05     0.05   0.01   0.08    -0.16  -0.08  -0.30
    15   1    -0.04   0.01  -0.08     0.04  -0.03   0.13    -0.17   0.11  -0.33
    16   1     0.02  -0.02  -0.04    -0.01   0.06   0.09    -0.01  -0.25  -0.25
    17   1     0.04   0.04  -0.02     0.06  -0.02   0.00     0.05   0.03  -0.01
    18   1     0.02   0.06   0.05    -0.01  -0.01  -0.04     0.03  -0.00  -0.06
    19   1     0.03  -0.02   0.03     0.08  -0.00  -0.05     0.03   0.01  -0.07
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1411.4127              1435.8153              1485.5882
 Red. masses --      1.3183                 1.2793                 1.0451
 Frc consts  --      1.5473                 1.5539                 1.3590
 IR Inten    --      9.8421                 9.1322                 0.5286
 RamAct Fr= 1--      0.3380                 0.3565                 5.8655
  Dep-P Fr= 1--      0.3596                 0.6787                 0.7479
  Dep-U Fr= 1--      0.5290                 0.8086                 0.8558
 Alpha2 Fr= 1--      0.0029                 0.0004                 0.0002
 Beta2  Fr= 1--      0.0298                 0.0480                 0.8366
 AlphaG Fr= 1--     -0.0090                 0.0059                 0.0032
 Gamma2 Fr= 1--      0.0314                -0.1225                 0.3147
 Delta2 Fr= 1--      0.0024                -0.1333                -0.0804
 Raman1 Fr= 1--       1.352                  1.426                 23.462
 ROA1   Fr= 1--       3.091                -16.023                 27.644
 CID1   Fr= 1--       2.286                -11.237                  1.178
 Raman2 Fr= 1--       0.358                  0.577                 10.039
 ROA2   Fr= 1--       0.734                 -1.873                  8.197
 CID2   Fr= 1--       2.053                 -3.249                  0.817
 Raman3 Fr= 1--       0.715                  1.153                 20.078
 ROA3   Fr= 1--       3.091                -16.023                 27.644
 CID3   Fr= 1--       4.322                -13.897                  1.377
 RC180  Fr= 1--       0.058                  0.617                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01   0.00     0.00   0.03  -0.01    -0.00  -0.00   0.00
     2   6    -0.05   0.02   0.01     0.05  -0.04  -0.00    -0.00   0.00  -0.00
     3   6     0.05   0.00  -0.03    -0.03   0.00   0.01     0.01  -0.00  -0.01
     4   6    -0.02  -0.02   0.01     0.04   0.03  -0.00    -0.01   0.01   0.00
     5   8    -0.01   0.01   0.00     0.01  -0.02  -0.00    -0.00   0.00  -0.00
     6   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   8     0.02   0.00   0.00    -0.02  -0.00  -0.00    -0.00   0.00   0.00
     8   1     0.14  -0.07   0.02    -0.15   0.13  -0.01     0.01  -0.01  -0.00
     9   1     0.09   0.05   0.00    -0.20  -0.07   0.03     0.03  -0.03  -0.05
    10   1     0.11   0.09  -0.01    -0.22  -0.10  -0.00     0.04  -0.03   0.03
    11   1    -0.03  -0.18  -0.05     0.02   0.17   0.04    -0.00   0.00  -0.00
    12   6    -0.00   0.01   0.07    -0.01  -0.02  -0.10     0.00   0.04  -0.01
    13   6    -0.11  -0.03   0.06    -0.06  -0.02   0.03     0.00  -0.04  -0.00
    14   1    -0.12  -0.09  -0.19     0.18   0.13   0.29     0.23  -0.37   0.17
    15   1     0.04   0.05  -0.26     0.03  -0.10   0.41     0.03   0.05  -0.24
    16   1     0.07  -0.08  -0.24    -0.06   0.20   0.35    -0.29  -0.23   0.23
    17   1     0.44   0.14  -0.04     0.30   0.11  -0.04    -0.24   0.44  -0.06
    18   1     0.28   0.23  -0.32     0.20   0.18  -0.20    -0.02   0.19   0.39
    19   1     0.38  -0.10  -0.28     0.27  -0.07  -0.19     0.16  -0.04  -0.24
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1493.4236              1507.4508              1512.0477
 Red. masses --      1.0512                 1.0588                 1.0620
 Frc consts  --      1.3813                 1.4176                 1.4305
 IR Inten    --      3.3729                10.8047                11.3274
 RamAct Fr= 1--      2.1961                 5.6208                 2.1900
  Dep-P Fr= 1--      0.6138                 0.7441                 0.7491
  Dep-U Fr= 1--      0.7607                 0.8533                 0.8566
 Alpha2 Fr= 1--      0.0055                 0.0006                 0.0000
 Beta2  Fr= 1--      0.2784                 0.7993                 0.3126
 AlphaG Fr= 1--     -0.0077                -0.0011                 0.0004
 Gamma2 Fr= 1--     -0.8863                 0.2904                -0.1440
 Delta2 Fr= 1--     -0.2013                 0.4488                -0.2755
 Raman1 Fr= 1--       8.784                 22.483                  8.760
 ROA1   Fr= 1--     -91.527                 42.242                -22.641
 CID1   Fr= 1--     -10.420                  1.879                 -2.585
 Raman2 Fr= 1--       3.341                  9.592                  3.752
 ROA2   Fr= 1--     -19.661                  3.380                 -1.253
 CID2   Fr= 1--      -5.885                  0.352                 -0.334
 Raman3 Fr= 1--       6.682                 19.184                  7.504
 ROA3   Fr= 1--     -91.527                 42.242                -22.641
 CID3   Fr= 1--     -13.697                  2.202                 -3.017
 RC180  Fr= 1--       0.521                  0.707                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     2   6     0.01  -0.00  -0.00     0.00   0.00   0.00     0.01  -0.01   0.00
     3   6    -0.02  -0.01   0.02    -0.02  -0.04  -0.02    -0.04   0.02  -0.02
     4   6     0.01  -0.00  -0.00     0.01   0.01   0.00    -0.00   0.01   0.00
     5   8     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     6   8     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     8   1    -0.03   0.04  -0.01     0.02  -0.02  -0.00    -0.01   0.03   0.00
     9   1    -0.05   0.06   0.09    -0.03   0.01   0.02    -0.00  -0.07  -0.07
    10   1    -0.09   0.05  -0.04    -0.03   0.02  -0.01     0.05  -0.06   0.03
    11   1     0.00   0.01   0.00     0.00   0.02   0.01     0.00   0.02   0.00
    12   6    -0.04  -0.00   0.01    -0.01  -0.02   0.02    -0.03   0.02   0.01
    13   6     0.03  -0.01   0.03     0.00  -0.02  -0.03    -0.01   0.02  -0.02
    14   1    -0.11  -0.22  -0.24    -0.23   0.24  -0.23     0.04  -0.44  -0.12
    15   1     0.48  -0.10  -0.01     0.10  -0.07   0.21     0.47  -0.05  -0.18
    16   1     0.19   0.34   0.06     0.29   0.27  -0.19    -0.01   0.18   0.25
    17   1     0.13   0.30  -0.05    -0.36   0.17  -0.01    -0.07  -0.37   0.06
    18   1    -0.19  -0.28   0.01     0.10   0.35   0.38     0.17   0.18  -0.12
    19   1    -0.25   0.12  -0.39     0.34  -0.11   0.06     0.15  -0.08   0.40
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1521.5020              1846.4378              2947.3073
 Red. masses --      1.0887                12.7879                 1.0798
 Frc consts  --      1.4850                25.6874                 5.5266
 IR Inten    --      3.8991               396.9483                32.7322
 RamAct Fr= 1--      5.7242                23.4462                92.7688
  Dep-P Fr= 1--      0.6990                 0.2328                 0.1861
  Dep-U Fr= 1--      0.8228                 0.3777                 0.3138
 Alpha2 Fr= 1--      0.0051                 0.2914                 1.3069
 Beta2  Fr= 1--      0.7850                 1.4760                 4.8513
 AlphaG Fr= 1--      0.0190                -0.2631                -0.5164
 Gamma2 Fr= 1--      1.0272                -1.8571                -2.1678
 Delta2 Fr= 1--     -0.0827                -0.0170                -0.5178
 Raman1 Fr= 1--      22.897                 93.785                371.075
 ROA1   Fr= 1--      95.967               -178.828               -224.677
 CID1   Fr= 1--       4.191                 -1.907                 -0.605
 Raman2 Fr= 1--       9.420                 17.712                 58.216
 ROA2   Fr= 1--      25.315                -44.435                -47.885
 CID2   Fr= 1--       2.687                 -2.509                 -0.823
 Raman3 Fr= 1--      18.840                 35.424                116.432
 ROA3   Fr= 1--      95.967               -178.828               -224.677
 CID3   Fr= 1--       5.094                 -5.048                 -1.930
 RC180  Fr= 1--       0.646                 -0.245                 -0.372
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01  -0.00     0.80  -0.19  -0.15     0.00   0.00  -0.00
     2   6    -0.01   0.00   0.00    -0.05  -0.03   0.01     0.00   0.00  -0.08
     3   6     0.00   0.00  -0.01    -0.02  -0.00  -0.00     0.00   0.00  -0.00
     4   6     0.04  -0.07  -0.02    -0.05   0.02  -0.00    -0.00   0.00   0.00
     5   8     0.01  -0.01  -0.00    -0.03  -0.01   0.01     0.00   0.00  -0.00
     6   8    -0.01   0.00   0.00    -0.50   0.13   0.09    -0.00   0.00   0.00
     7   8     0.00  -0.00   0.00     0.00   0.01   0.00    -0.00  -0.00  -0.00
     8   1     0.02  -0.03  -0.00    -0.01   0.01   0.00    -0.06   0.00   0.99
     9   1    -0.27   0.32   0.53     0.00   0.04  -0.05     0.00  -0.00   0.00
    10   1    -0.38   0.51  -0.27     0.08  -0.00   0.04     0.00  -0.00  -0.02
    11   1    -0.00  -0.01  -0.00    -0.00   0.12   0.01     0.01  -0.00  -0.01
    12   6     0.00   0.01   0.01     0.00   0.00  -0.00    -0.00   0.00   0.00
    13   6    -0.00   0.00  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
    14   1     0.04  -0.08   0.03     0.00  -0.02  -0.01    -0.00  -0.00   0.00
    15   1    -0.02   0.02  -0.08     0.02  -0.01   0.01     0.00   0.00   0.00
    16   1    -0.07  -0.08   0.03    -0.00   0.01   0.02     0.01  -0.01   0.00
    17   1    -0.06  -0.07   0.01    -0.00  -0.00   0.00    -0.01  -0.00  -0.03
    18   1     0.03   0.05   0.02     0.00   0.00  -0.01     0.00  -0.00   0.00
    19   1     0.04  -0.02   0.10     0.02  -0.00  -0.01     0.00   0.01   0.00
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3030.2103              3040.7838              3050.0035
 Red. masses --      1.0357                 1.0375                 1.0636
 Frc consts  --      5.6032                 5.6523                 5.8296
 IR Inten    --     19.2854                15.7264                38.7637
 RamAct Fr= 1--     93.3361               150.0414               215.2842
  Dep-P Fr= 1--      0.0118                 0.0203                 0.0494
  Dep-U Fr= 1--      0.0233                 0.0399                 0.0941
 Alpha2 Fr= 1--      2.0177                 3.1792                 4.2587
 Beta2  Fr= 1--      0.3630                 0.9967                 3.3776
 AlphaG Fr= 1--     -0.1574                -0.4834                 1.0695
 Gamma2 Fr= 1--      0.7441                -1.2990                 4.5131
 Delta2 Fr= 1--      0.0954                -0.7032                -3.8956
 Raman1 Fr= 1--     373.344                600.166                861.137
 ROA1   Fr= 1--      74.486               -147.201                308.596
 CID1   Fr= 1--       0.200                 -0.245                  0.358
 Raman2 Fr= 1--       4.356                 11.960                 40.531
 ROA2   Fr= 1--      17.094                -25.550                139.479
 CID2   Fr= 1--       3.924                 -2.136                  3.441
 Raman3 Fr= 1--       8.713                 23.920                 81.062
 ROA3   Fr= 1--      74.486               -147.201                308.596
 CID3   Fr= 1--       8.549                 -6.154                  3.807
 RC180  Fr= 1--      -0.953                 -0.920                 -0.812
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     4   6    -0.00   0.00   0.01    -0.00   0.01   0.01     0.02  -0.04  -0.05
     5   8    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     6   8     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     7   8     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   1    -0.00  -0.00   0.02     0.00  -0.00   0.01    -0.00  -0.00   0.02
     9   1     0.02  -0.02   0.03     0.03  -0.05   0.06    -0.13   0.22  -0.24
    10   1     0.02  -0.03  -0.10     0.03  -0.04  -0.15    -0.15   0.27   0.85
    11   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    12   6    -0.00   0.00  -0.01     0.00  -0.01   0.05    -0.00  -0.00   0.01
    13   6     0.04  -0.00  -0.03     0.01   0.00  -0.01     0.01   0.00  -0.00
    14   1    -0.09  -0.03   0.05     0.51   0.15  -0.31     0.09   0.03  -0.05
    15   1     0.01   0.08   0.01    -0.07  -0.39  -0.05    -0.01  -0.06  -0.01
    16   1     0.10  -0.07   0.04    -0.49   0.34  -0.22    -0.07   0.05  -0.03
    17   1     0.08   0.10   0.58     0.01   0.02   0.11     0.01   0.01   0.06
    18   1    -0.46   0.35  -0.22    -0.07   0.05  -0.03    -0.08   0.06  -0.04
    19   1    -0.11  -0.45  -0.06    -0.02  -0.07  -0.01    -0.02  -0.09  -0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3090.1686              3099.1547              3103.8952
 Red. masses --      1.1018                 1.1021                 1.1013
 Frc consts  --      6.1992                 6.2369                 6.2514
 IR Inten    --     21.6981                26.7790                15.3657
 RamAct Fr= 1--     54.8611                58.9238                53.0281
  Dep-P Fr= 1--      0.7480                 0.7423                 0.7478
  Dep-U Fr= 1--      0.8559                 0.8521                 0.8557
 Alpha2 Fr= 1--      0.0018                 0.0077                 0.0020
 Beta2  Fr= 1--      7.8256                 8.3679                 7.5627
 AlphaG Fr= 1--      0.0055                 0.0095                 0.0005
 Gamma2 Fr= 1--     -0.3723                -6.4334                -6.6809
 Delta2 Fr= 1--     -0.6342                -1.3616                -6.3332
 Raman1 Fr= 1--     219.444                235.695                212.113
 ROA1   Fr= 1--     -56.035               -661.183               -844.031
 CID1   Fr= 1--      -0.255                 -2.805                 -3.979
 Raman2 Fr= 1--      93.907                100.415                 90.752
 ROA2   Fr= 1--      -3.862               -143.510               -109.676
 CID2   Fr= 1--      -0.041                 -1.429                 -1.209
 Raman3 Fr= 1--     187.814                200.829                181.504
 ROA3   Fr= 1--     -56.035               -661.183               -844.031
 CID3   Fr= 1--      -0.298                 -3.292                 -4.650
 RC180  Fr= 1--       0.712                  0.704                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     2   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     5   8     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     6   8    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   8    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   1     0.00  -0.00   0.02     0.00  -0.00  -0.00    -0.00  -0.00   0.01
     9   1    -0.02   0.03  -0.03    -0.01   0.02  -0.02    -0.03   0.05  -0.05
    10   1    -0.00   0.00   0.01     0.00  -0.01  -0.02     0.00   0.00   0.00
    11   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    12   6     0.01  -0.00  -0.00    -0.09   0.01   0.01     0.01   0.01  -0.00
    13   6    -0.05   0.03  -0.07    -0.01  -0.00  -0.01    -0.01  -0.08  -0.03
    14   1    -0.09  -0.03   0.06     0.58   0.18  -0.37    -0.06  -0.02   0.04
    15   1     0.01   0.03   0.00    -0.02   0.01   0.00    -0.01  -0.07  -0.01
    16   1    -0.07   0.05  -0.03     0.51  -0.37   0.25    -0.02   0.02  -0.01
    17   1     0.07   0.13   0.65     0.01   0.02   0.12     0.05   0.05   0.40
    18   1     0.54  -0.41   0.23     0.07  -0.06   0.03    -0.20   0.13  -0.10
    19   1    -0.04  -0.10  -0.03     0.01   0.05   0.00     0.22   0.83   0.10
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3120.5568              3127.0583              3723.3763
 Red. masses --      1.1028                 1.1000                 1.0656
 Frc consts  --      6.3270                 6.3375                 8.7043
 IR Inten    --     16.1869                14.2538                63.8405
 RamAct Fr= 1--     82.6856                62.9243                68.2854
  Dep-P Fr= 1--      0.4493                 0.7092                 0.1327
  Dep-U Fr= 1--      0.6200                 0.8298                 0.2344
 Alpha2 Fr= 1--      0.5084                 0.0445                 1.1025
 Beta2  Fr= 1--      8.5442                 8.7029                 2.6674
 AlphaG Fr= 1--     -0.1436                 0.0672                 0.5059
 Gamma2 Fr= 1--      3.8496                 8.6109                 3.1586
 Delta2 Fr= 1--      7.7345                 2.6190                 0.2872
 Raman1 Fr= 1--     330.743                251.697                273.142
 ROA1   Fr= 1--     617.064                910.453                312.420
 CID1   Fr= 1--       1.866                  3.617                  1.144
 Raman2 Fr= 1--     102.531                104.434                 32.008
 ROA2   Fr= 1--      30.514                185.709                 73.509
 CID2   Fr= 1--       0.298                  1.778                  2.297
 Raman3 Fr= 1--     205.061                208.868                 64.017
 ROA3   Fr= 1--     617.064                910.453                312.420
 CID3   Fr= 1--       3.009                  4.359                  4.880
 RC180  Fr= 1--       0.240                  0.660                 -0.531
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     2   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     3   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     4   6    -0.02   0.04  -0.08     0.00  -0.01   0.01     0.00   0.00  -0.00
     5   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     6   8    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     7   8     0.00   0.00   0.00     0.00   0.00   0.00    -0.06   0.01   0.01
     8   1     0.00  -0.00   0.01    -0.00   0.00   0.00    -0.00  -0.00  -0.01
     9   1     0.35  -0.60   0.60    -0.06   0.11  -0.11    -0.00  -0.00   0.00
    10   1    -0.06   0.12   0.31     0.01  -0.02  -0.06    -0.00   0.00   0.00
    11   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.97  -0.16  -0.18
    12   6    -0.00  -0.02   0.00    -0.01  -0.09   0.01     0.00   0.00   0.00
    13   6    -0.00  -0.01  -0.01     0.00  -0.01   0.00    -0.00   0.00   0.00
    14   1     0.05   0.01  -0.03     0.22   0.05  -0.13     0.00   0.00  -0.00
    15   1     0.03   0.16   0.03     0.17   0.87   0.13    -0.00  -0.00  -0.00
    16   1    -0.02   0.01  -0.00    -0.24   0.15  -0.11     0.00  -0.00   0.00
    17   1     0.01   0.01   0.06     0.00   0.00   0.00    -0.00   0.00  -0.00
    18   1     0.01  -0.01   0.00    -0.03   0.02  -0.01     0.00  -0.00   0.00
    19   1     0.02   0.06   0.01     0.02   0.06   0.01    -0.00  -0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  8 and mass  15.99491
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   130.06299 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   745.200861147.531651480.22458
           X            0.99957  -0.02938  -0.00076
           Y            0.02939   0.99953   0.00922
           Z            0.00049  -0.00924   0.99996
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.11623     0.07548     0.05851
 Rotational constants (GHZ):           2.42182     1.57272     1.21923
 Zero-point vibrational energy     415752.2 (Joules/Mol)
                                   99.36716 (Kcal/Mol)
 Warning -- explicit consideration of  13 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    139.61   271.37   306.36   331.27   371.11
          (Kelvin)            375.10   431.24   495.37   515.65   554.60
                              736.86   788.34   809.86   936.74  1038.59
                             1163.77  1287.26  1315.75  1367.33  1394.84
                             1449.10  1476.95  1509.93  1626.49  1698.49
                             1715.97  1763.97  1793.18  1811.72  1888.84
                             1966.89  2007.02  2014.19  2030.71  2065.82
                             2137.43  2148.70  2168.89  2175.50  2189.10
                             2656.61  4240.52  4359.80  4375.01  4388.27
                             4446.06  4458.99  4465.81  4489.79  4499.14
                             5357.11
 
 Zero-point correction=                           0.158352 (Hartree/Particle)
 Thermal correction to Energy=                    0.167336
 Thermal correction to Enthalpy=                  0.168280
 Thermal correction to Gibbs Free Energy=         0.125241
 Sum of electronic and zero-point Energies=           -460.398965
 Sum of electronic and thermal Energies=              -460.389980
 Sum of electronic and thermal Enthalpies=            -460.389036
 Sum of electronic and thermal Free Energies=         -460.432075
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  105.005             34.185             90.583
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.502
 Rotational               0.889              2.981             28.628
 Vibrational            103.228             28.223             21.454
 Vibration     1          0.603              1.951              3.513
 Vibration     2          0.633              1.856              2.241
 Vibration     3          0.644              1.821              2.018
 Vibration     4          0.652              1.795              1.877
 Vibration     5          0.667              1.749              1.676
 Vibration     6          0.669              1.745              1.657
 Vibration     7          0.692              1.674              1.418
 Vibration     8          0.723              1.587              1.192
 Vibration     9          0.733              1.558              1.129
 Vibration    10          0.754              1.501              1.018
 Vibration    11          0.867              1.223              0.628
 Vibration    12          0.903              1.144              0.548
 Vibration    13          0.919              1.112              0.518
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.247195D-57        -57.606960       -132.644927
 Total V=0       0.169699D+16         15.229678         35.067631
 Vib (Bot)       0.105276D-70        -70.977673       -163.432131
 Vib (Bot)    1  0.211618D+01          0.325552          0.749611
 Vib (Bot)    2  0.106166D+01          0.025984          0.059829
 Vib (Bot)    3  0.931674D+00         -0.030736         -0.070772
 Vib (Bot)    4  0.855337D+00         -0.067863         -0.156259
 Vib (Bot)    5  0.753788D+00         -0.122751         -0.282645
 Vib (Bot)    6  0.744748D+00         -0.127991         -0.294709
 Vib (Bot)    7  0.634602D+00         -0.197499         -0.454757
 Vib (Bot)    8  0.537846D+00         -0.269342         -0.620183
 Vib (Bot)    9  0.511972D+00         -0.290754         -0.669486
 Vib (Bot)   10  0.467256D+00         -0.330446         -0.760879
 Vib (Bot)   11  0.317437D+00         -0.498343         -1.147477
 Vib (Bot)   12  0.286982D+00         -0.542146         -1.248337
 Vib (Bot)   13  0.275345D+00         -0.560123         -1.289731
 Vib (V=0)       0.722713D+02          1.858966          4.280426
 Vib (V=0)    1  0.267444D+01          0.427233          0.983741
 Vib (V=0)    2  0.167350D+01          0.223627          0.514920
 Vib (V=0)    3  0.155736D+01          0.192390          0.442994
 Vib (V=0)    4  0.149076D+01          0.173407          0.399285
 Vib (V=0)    5  0.140454D+01          0.147535          0.339711
 Vib (V=0)    6  0.139702D+01          0.145203          0.334343
 Vib (V=0)    7  0.130791D+01          0.116578          0.268431
 Vib (V=0)    8  0.123436D+01          0.091440          0.210549
 Vib (V=0)    9  0.121562D+01          0.084799          0.195256
 Vib (V=0)   10  0.118434D+01          0.073478          0.169190
 Vib (V=0)   11  0.109226D+01          0.038324          0.088244
 Vib (V=0)   12  0.107651D+01          0.032016          0.073720
 Vib (V=0)   13  0.107080D+01          0.029709          0.068408
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.583021D+08          7.765685         17.881149
 Rotational      0.402743D+06          5.605028         12.906055
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3                33333333  2                                     1      1111111111111111 1 111                                  
     7                11100000  9                                     8      5554444433322211 1 0009998  8  7 6  555  333322221      
     2                22099543  4                                     4      2109831096154298 3 4206519  0  2 5  641  854065318  9   
     3                71490010  7                                     6      2273661057396631 0 9779045  9  2 1  382  584018039  7   
 
     X                XXXXXXXX  X                                     X      XXXXXXXXXXXXXXXX X XXXXXXX  X  X X  XXX  XXXXXXXXX  X   
     X                     X    X                                     X                 X     X  X                     X             
     X                                                                X                       X  X                     X             
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 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000012239   -0.000009178    0.000003171
      2        6           0.000000981    0.000006489   -0.000000218
      3        6           0.000001909    0.000004565    0.000008661
      4        6          -0.000006395    0.000002771    0.000000441
      5        8           0.000009136   -0.000005550   -0.000001346
      6        8           0.000000887    0.000001750    0.000000212
      7        8           0.000000812    0.000002869   -0.000001188
      8        1           0.000002937    0.000000729    0.000000675
      9        1           0.000001086    0.000000457   -0.000001954
     10        1          -0.000004314    0.000004280    0.000002331
     11        1           0.000000390   -0.000002630    0.000000848
     12        6           0.000001448   -0.000005122   -0.000001887
     13        6           0.000001857   -0.000006042    0.000002440
     14        1           0.000004992    0.000004294    0.000000736
     15        1          -0.000004988    0.000002745   -0.000004991
     16        1          -0.000000877    0.000001391    0.000001122
     17        1           0.000001996    0.000000374   -0.000003987
     18        1          -0.000004236   -0.000002051   -0.000001834
     19        1           0.000004618   -0.000002138   -0.000003234
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000012239 RMS     0.000003964
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.924328D+02 -0.440437D+01 -0.184821D+01
      2  -0.440437D+01  0.804340D+02  0.835018D+00
      3  -0.184821D+01  0.835018D+00  0.729501D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.102624D+01 -0.161485D+01 -0.700876D+00
      2   0.388890D+01  0.101453D+01  0.344309D+02
      3  -0.141817D+02 -0.175695D+02 -0.222002D+00
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.321170D+02  0.134882D+02  0.463835D+01
      2  -0.195015D+02 -0.635117D+01 -0.747935D+00
      3  -0.126155D+02 -0.713702D+01 -0.389041D+01
      4   0.304835D+01  0.475155D+02  0.525270D+00
      5   0.711277D+01  0.567979D+00  0.794774D+02
      6  -0.257445D+00  0.427699D+01 -0.296483D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.804725D+01 -0.244538D+01 -0.487032D+00 -0.189621D+01 -0.160556D+01
      2  -0.244538D+01  0.827169D+00  0.792957D-01 -0.160556D+01  0.491370D+00
      3  -0.487032D+00  0.792957D-01  0.207346D+00  0.261283D+00  0.494871D-01
                 6             7             8             9            10 
      1   0.261283D+00 -0.176720D+01 -0.692807D-01  0.248387D+00 -0.358345D+01
      2   0.494871D-01 -0.692807D-01 -0.694638D+00 -0.295666D+00  0.250155D+01
      3  -0.715593D+00  0.248387D+00 -0.295666D+00 -0.817915D+00 -0.124880D+01
                11            12            13            14            15 
      1   0.250155D+01 -0.124880D+01  0.330627D+01  0.467390D+00 -0.135709D+00
      2  -0.788034D-01  0.851816D-01  0.467390D+00 -0.123614D+01 -0.177599D+00
      3   0.851816D-01 -0.786587D+00 -0.135709D+00 -0.177599D+00  0.212964D+01
                16            17            18            19            20 
      1  -0.846629D+00  0.741993D+00 -0.863719D+00  0.236563D+01 -0.191906D+01
      2   0.741993D+00 -0.103770D+01  0.795719D+00 -0.191906D+01  0.314455D+01
      3  -0.863719D+00  0.795719D+00  0.757516D+01  0.349666D+01  0.122588D+00
                21            22            23            24            25 
      1   0.349666D+01 -0.212042D+01  0.274018D+01 -0.168830D+00  0.403966D+01
      2   0.122588D+00  0.274018D+01  0.327735D+01  0.154197D+01 -0.371991D-01
      3  -0.614756D+00 -0.168830D+00  0.154197D+01 -0.194452D+01 -0.600037D+00
                26            27            28            29            30 
      1  -0.371991D-01 -0.600037D+00  0.224502D+01  0.499903D+00 -0.120508D+01
      2   0.116644D+01 -0.184988D+01  0.499903D+00 -0.284229D+01 -0.157152D+00
      3  -0.184988D+01 -0.674775D+01 -0.120508D+01 -0.157152D+00 -0.249901D+01
                31            32            33            34            35 
      1  -0.106639D+00 -0.281950D+01  0.510436D+00 -0.961613D+00  0.203009D+00
      2  -0.281950D+01 -0.910758D+00 -0.137876D+01  0.203009D+00 -0.128745D+01
      3   0.510436D+00 -0.137876D+01  0.250773D+01 -0.175297D+01  0.395916D+01
                36            37            38            39            40 
      1  -0.175297D+01 -0.392283D+01 -0.233262D+01  0.341101D+00 -0.183199D+01
      2   0.395916D+01 -0.233262D+01 -0.834994D+00  0.320316D+00 -0.290645D+00
      3   0.396384D+01  0.341101D+00  0.320316D+00  0.679921D+00 -0.249112D+00
                41            42            43            44            45 
      1  -0.290645D+00 -0.249112D+00  0.637982D+00  0.228911D+00 -0.562485D+00
      2  -0.552160D+01  0.532615D+00  0.228911D+00  0.668187D+00 -0.149762D+01
      3   0.532615D+00 -0.810181D+00 -0.562485D+00 -0.149762D+01  0.612945D+00
                46            47            48            49            50 
      1  -0.175700D+02  0.252301D+01  0.943686D+00  0.200559D+01 -0.288534D+01
      2   0.252301D+01 -0.368949D+01 -0.177570D+00 -0.288534D+01  0.239536D+01
      3   0.943686D+00 -0.177570D+00 -0.205459D+01 -0.158410D+00  0.318507D+00
                51            52            53            54            55 
      1  -0.158410D+00  0.225165D+01 -0.178726D+00 -0.364005D+01  0.394489D+01
      2   0.318507D+00 -0.178726D+00  0.721674D+00  0.779689D+00 -0.433144D+00
      3   0.795248D+00 -0.364005D+01  0.779689D+00  0.123586D+01  0.533454D-01
                56            57            58            59            60 
      1  -0.433144D+00  0.533454D-01 -0.371329D+00  0.367566D-01  0.375354D+00
      2   0.390191D+01  0.268097D+00  0.367566D-01  0.601063D+01 -0.437651D+00
      3   0.268097D+00  0.106275D+01  0.375354D+00 -0.437651D+00 -0.552277D+00
                61            62            63            64            65 
      1  -0.814944D+00  0.554462D-02  0.400344D+00  0.896152D+00 -0.353054D+00
      2   0.554462D-02 -0.225563D-01  0.106517D+01 -0.353054D+00 -0.139635D+00
      3   0.400344D+00  0.106517D+01 -0.377055D+00 -0.111391D+01  0.637421D-01
                66            67            68            69            70 
      1  -0.111391D+01 -0.511978D+00 -0.216561D+00  0.420013D-01 -0.183548D+01
      2   0.637421D-01 -0.216561D+00  0.476366D+00 -0.128830D+01  0.276958D-01
      3   0.342167D+00  0.420013D-01 -0.128830D+01 -0.204980D+00  0.152924D+00
                71            72            73            74            75 
      1   0.276958D-01  0.152924D+00  0.173842D+01 -0.175106D+01  0.118186D+01
      2  -0.171258D+01  0.379487D+00 -0.175106D+01  0.243681D+01 -0.759120D+00
      3   0.379487D+00 -0.958061D+01  0.118186D+01 -0.759120D+00  0.109609D+01
                76            77            78            79            80 
      1  -0.151754D+01  0.201650D+01 -0.578224D+00  0.159864D+01 -0.101688D+01
      2   0.201650D+01 -0.549556D+01  0.192348D+01 -0.101688D+01  0.341676D+01
      3  -0.578224D+00  0.192348D+01 -0.178188D+01  0.127681D+01 -0.252072D+01
                81            82            83            84            85 
      1   0.127681D+01  0.707566D+00 -0.848654D+00 -0.132459D+01 -0.554197D+00
      2  -0.252072D+01 -0.848654D+00  0.851901D+00  0.552856D+00  0.102433D+01
      3   0.196996D+01 -0.132459D+01  0.552856D+00  0.106715D+01  0.257925D+00
                86            87            88            89            90 
      1   0.102433D+01  0.257925D+00 -0.221948D+01  0.531478D+00  0.148009D+01
      2  -0.256792D+01 -0.178859D+01  0.531478D+00 -0.302832D+01 -0.366152D+01
      3  -0.178859D+01 -0.188590D+01  0.148009D+01 -0.366152D+01 -0.647733D+01
                91            92            93            94            95 
      1  -0.485751D+01  0.229468D+01  0.463881D+00  0.164032D+01 -0.136545D+01
      2   0.229468D+01 -0.455255D+01 -0.309691D+00 -0.136545D+01  0.184373D+01
      3   0.463881D+00 -0.309691D+00 -0.113316D+01 -0.191031D+00  0.136299D+00
                96            97            98            99           100 
      1  -0.191031D+00  0.942395D+00 -0.329050D+00 -0.634152D+00  0.267738D-01
      2   0.136299D+00 -0.329050D+00  0.914556D+00  0.743727D+00  0.266772D+01
      3   0.561023D+00 -0.634152D+00  0.743727D+00  0.460567D+00 -0.454849D+01
               101           102           103           104           105 
      1   0.266772D+01 -0.454849D+01  0.291176D+01 -0.264143D+01  0.386820D+00
      2  -0.205074D+01  0.403573D+00 -0.264143D+01 -0.442451D+01 -0.267712D+01
      3   0.403573D+00  0.142655D+01  0.386820D+00 -0.267712D+01  0.201441D+01
               106           107           108           109           110 
      1  -0.393826D+01  0.220120D+00  0.130057D+01 -0.159252D+01  0.252643D+01
      2   0.220120D+00 -0.117696D+01  0.176499D+01  0.252643D+01 -0.300764D+01
      3   0.130057D+01  0.176499D+01  0.391624D+01 -0.320120D+01  0.263420D+00
               111           112           113           114           115 
      1  -0.320120D+01  0.292311D+01 -0.377677D+01  0.248096D+00 -0.355173D+01
      2   0.263420D+00 -0.377677D+01 -0.441220D+01 -0.902681D+00  0.279407D+00
      3   0.154793D+01  0.248096D+00 -0.902681D+00  0.179635D+01  0.547832D+00
               116           117           118           119           120 
      1   0.279407D+00  0.547832D+00 -0.388484D+01 -0.839945D+00  0.244154D+01
      2  -0.107723D+01  0.154849D+01 -0.839945D+00 -0.808949D+00  0.237878D+00
      3   0.154849D+01  0.681685D+01  0.244154D+01  0.237878D+00 -0.374353D+01
               121           122           123           124           125 
      1  -0.976508D+00 -0.502018D+00  0.381351D+00  0.209777D+01  0.225766D+00
      2  -0.502018D+00 -0.101447D+00  0.103641D+01  0.225766D+00  0.798806D+00
      3   0.381351D+00  0.103641D+01 -0.120472D+01 -0.204072D+01 -0.611879D+00
               126           127           128           129           130 
      1  -0.204072D+01  0.815776D+00  0.905271D+00  0.880885D+00  0.150315D+01
      2  -0.611879D+00  0.905271D+00  0.119726D+01  0.347990D+00  0.171177D+01
      3   0.360746D+01  0.880885D+00  0.347990D+00  0.260408D+00  0.828240D+00
               131           132           133           134           135 
      1   0.171177D+01  0.828240D+00  0.555517D+00  0.273722D+00  0.261121D+00
      2   0.660744D+01  0.239277D+01  0.273722D+00  0.125691D+01  0.110004D+01
      3   0.239277D+01  0.250264D+01  0.261121D+00  0.110004D+01  0.775411D+00
               136           137           138           139           140 
      1   0.489805D+01 -0.178195D+01  0.293966D+01 -0.253743D+01  0.182070D+01
      2  -0.178195D+01  0.173314D+01 -0.883656D+00  0.182070D+01 -0.151487D+01
      3   0.293966D+01 -0.883656D+00  0.259840D+01 -0.135894D+01  0.147997D+01
               141           142           143           144           145 
      1  -0.135894D+01  0.188664D+01 -0.671673D+00  0.166030D+01 -0.169824D+00
      2   0.147997D+01 -0.671673D+00  0.827162D+00 -0.108599D+01 -0.384537D+00
      3  -0.219232D+01  0.166030D+01 -0.108599D+01  0.209122D+01 -0.614414D+00
               146           147           148           149           150 
      1  -0.384537D+00 -0.614414D+00 -0.737325D+00  0.515830D+00  0.176694D+00
      2   0.472386D-01 -0.376407D-01  0.515830D+00 -0.142576D-01 -0.103895D+01
      3  -0.376407D-01 -0.594707D+00  0.176694D+00 -0.103895D+01 -0.117324D+01
               151           152           153           154           155 
      1  -0.166629D+01 -0.569748D-01  0.137203D+01  0.768127D+01 -0.233875D+01
      2  -0.569748D-01 -0.112703D+01 -0.629092D+00 -0.233875D+01  0.195896D+01
      3   0.137203D+01 -0.629092D+00 -0.892317D+01  0.811620D+00 -0.331577D+00
               156           157           158           159           160 
      1   0.811620D+00 -0.410729D+01  0.252967D+01 -0.200932D+00  0.265046D+01
      2  -0.331577D+00  0.252967D+01 -0.169358D+01  0.419238D+00 -0.544921D+00
      3   0.955587D+00 -0.200932D+00  0.419238D+00 -0.108101D+01  0.100508D+01
               161           162           163           164           165 
      1  -0.544921D+00  0.100508D+01  0.221417D+01  0.150959D+01  0.189280D+00
      2   0.829021D+00 -0.714260D+00  0.150959D+01  0.190616D+01 -0.885306D-01
      3  -0.714260D+00  0.316426D+00  0.189280D+00 -0.885306D-01  0.182049D+00
               166           167           168           169           170 
      1   0.297867D+01  0.324013D+01 -0.427012D+00  0.940904D+00  0.167063D+00
      2   0.324013D+01  0.679062D+01 -0.141098D+00  0.167063D+00  0.564952D+00
      3  -0.427012D+00 -0.141098D+00  0.123957D+01  0.388658D+00  0.730139D+00
               171 
      1   0.388658D+00
      2   0.730139D+00
      3  -0.418118D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.139410D+01  0.398945D+01 -0.107862D+01  0.279641D+01  0.166808D+01
      2  -0.178844D+01 -0.296345D+01 -0.107010D+02 -0.242808D+01 -0.598855D+00
      3  -0.167979D+01  0.100357D+02  0.112495D+01 -0.781519D+00 -0.294841D+01
                 6             7             8             9            10 
      1   0.467000D+01  0.654894D+00  0.126657D+02 -0.175800D+01  0.585864D+00
      2   0.278599D+01 -0.138887D+02 -0.335017D+01  0.341703D+01 -0.386932D+01
      3  -0.166026D+01  0.301094D+01 -0.626888D+01  0.341711D+00  0.129983D+01
                11            12            13            14            15 
      1  -0.899775D+00 -0.275687D+01 -0.188366D+01  0.432791D+00 -0.727492D+00
      2   0.218101D+01  0.131093D+01  0.425054D+01  0.291043D+00  0.343195D+01
      3  -0.287831D+01 -0.627918D+00  0.697347D+01 -0.594610D+00  0.114520D+01
                16            17            18            19            20 
      1  -0.110672D+01  0.198953D+01 -0.124587D+01 -0.860554D+00 -0.352654D+00
      2  -0.227063D+01  0.742404D+00 -0.479942D+01  0.878341D+01 -0.140781D+00
      3  -0.671164D+00  0.270531D+01 -0.203422D+01  0.288584D+01 -0.878882D+01
                21            22            23            24            25 
      1   0.839946D+00 -0.429333D+00  0.634524D+00 -0.611247D+01  0.284498D+00
      2   0.422941D+01 -0.804047D+00  0.193808D+01 -0.259628D+01 -0.521793D+01
      3   0.458311D-01 -0.434338D+00 -0.630184D+01 -0.280316D+01  0.926389D+00
                26            27            28            29            30 
      1   0.253133D+01 -0.112664D+01  0.163003D+00  0.217441D+01 -0.458744D+01
      2  -0.250019D+01 -0.466717D+01 -0.195931D+01  0.576283D+00 -0.259472D+01
      3  -0.245434D+01  0.202865D+01 -0.105874D+02  0.160531D+01  0.825887D+00
                31            32            33            34            35 
      1   0.333896D+01 -0.370897D+01  0.568114D+01 -0.309109D+01  0.126657D+02
      2  -0.508000D+00 -0.249328D+01  0.195649D+01 -0.663630D+01  0.522375D+01
      3   0.422640D+01  0.605952D+01  0.159528D+01 -0.115635D+00  0.164122D+01
                36            37            38            39            40 
      1   0.656149D+01 -0.567743D+00 -0.183844D+01 -0.240524D+00  0.133952D+01
      2   0.291234D+01 -0.225653D+00  0.142370D+01  0.627638D+01  0.818128D+00
      3   0.126842D+01  0.982487D+01 -0.271536D+01 -0.110325D+01  0.119404D+02
                41            42            43            44            45 
      1   0.194385D+01 -0.678332D+01 -0.457526D+01 -0.188701D+01  0.176104D+01
      2  -0.571831D+00 -0.632532D+00 -0.313072D+01  0.382330D+01 -0.134205D+01
      3  -0.527475D+01  0.287248D-01 -0.341009D+01  0.595385D+00 -0.271097D+00
                46            47            48            49            50 
      1   0.168888D+01 -0.992174D+00  0.155985D+01 -0.109773D+01 -0.403314D+00
      2  -0.319701D+01  0.215422D+00  0.150373D+02  0.123000D+01 -0.556997D+00
      3   0.887781D+01 -0.212160D+02 -0.671523D+00 -0.202685D+01  0.915848D+01
                51            52            53            54            55 
      1  -0.361656D+01 -0.176404D+01  0.571505D+00  0.604210D+00  0.140061D+01
      2  -0.219082D+01  0.494929D+01  0.841761D+00 -0.437451D+01 -0.361384D+00
      3   0.727009D+00 -0.551044D+00  0.472615D+01  0.279869D+01  0.134183D+02
                56            57            58            59            60 
      1  -0.146279D+01 -0.185434D+01  0.928594D-01 -0.308219D+01 -0.652170D+01
      2   0.917487D+00  0.101580D+01 -0.768895D+00 -0.649235D+00 -0.106322D+01
      3   0.336882D-01 -0.101657D+01  0.578994D+01  0.378747D+01  0.179324D+00
                61            62            63            64            65 
      1  -0.651294D+00  0.202195D+01 -0.187732D+01  0.160234D+00 -0.864421D-01
      2  -0.379440D+01  0.466802D+00 -0.121244D-01  0.224213D+01 -0.300624D+00
      3  -0.153207D+01  0.738624D-01  0.182803D+01  0.635393D+00 -0.999861D+00
                66            67            68            69            70 
      1   0.334644D+00 -0.460517D+00  0.545727D+00  0.583804D+00 -0.566437D+00
      2  -0.260068D+00 -0.108720D+01  0.486540D+00 -0.530762D-01 -0.474694D+01
      3  -0.519449D+00  0.244404D+00  0.975613D-01 -0.386144D+00 -0.897110D+00
                71            72            73            74            75 
      1   0.390315D+01  0.440614D+01  0.284313D+01 -0.177353D+01  0.299575D+01
      2   0.383916D+00  0.351663D+01  0.900344D+00 -0.813145D+00  0.209665D+01
      3  -0.867351D+00  0.742430D+00 -0.276939D+01 -0.220781D-01 -0.186387D+01
                76            77            78            79            80 
      1  -0.198445D+01  0.448951D+01 -0.552969D+01  0.311073D+01 -0.382928D+01
      2   0.243657D+00  0.184766D+01 -0.206277D+01  0.160429D-01 -0.234236D+01
      3   0.439424D+01 -0.829818D+00 -0.102791D+00 -0.384707D+01 -0.116956D+01
                81            82            83            84            85 
      1   0.565906D+01 -0.247185D+01  0.962521D-01  0.213063D+01 -0.221676D+00
      2   0.215977D+01  0.125425D+00 -0.178134D+00  0.740849D+00 -0.531921D+00
      3  -0.103487D+01 -0.145916D+01 -0.414258D+00  0.237814D+01  0.152040D+01
                86            87            88            89            90 
      1  -0.164853D+01 -0.426830D+01  0.337974D+01 -0.284230D+01 -0.116948D+02
      2  -0.819239D+00 -0.152024D+01 -0.219241D+01 -0.258251D+01 -0.448724D+01
      3  -0.120011D+01  0.425569D+00  0.558253D+01  0.101937D+01 -0.152632D+01
                91            92            93            94            95 
      1  -0.233803D+01  0.152897D+01  0.298662D+01  0.364701D+00 -0.950719D+00
      2  -0.249544D+00  0.685391D-01  0.196960D+01  0.904139D-01  0.134910D+00
      3  -0.139426D+02 -0.178586D+01  0.144963D+01  0.156871D+01 -0.285990D+01
                96            97            98            99           100 
      1  -0.140472D+01  0.965409D+00 -0.704869D+00 -0.131448D+01  0.611701D+01
      2  -0.756587D+00 -0.340917D+00 -0.899683D+00 -0.406045D+00 -0.641765D+01
      3  -0.967843D-01  0.231547D+01 -0.239562D+00 -0.538092D+00 -0.337161D+01
               101           102           103           104           105 
      1  -0.420199D+01 -0.292457D+00 -0.531878D+01 -0.898703D+01 -0.897689D+01
      2  -0.445456D+01  0.146290D+02 -0.463295D+01  0.124552D+01  0.185705D+01
      3   0.181756D+01 -0.224381D+01  0.688937D+01  0.549033D+01  0.345511D+01
               106           107           108           109           110 
      1   0.566134D+00 -0.223307D+01  0.325754D+01 -0.115602D+01  0.304823D+01
      2   0.705573D+01  0.174917D+01  0.155780D+01 -0.110876D+02  0.272901D+01
      3  -0.156818D+01  0.225918D+01 -0.199712D+01 -0.725451D+01  0.709581D+01
               111           112           113           114           115 
      1  -0.683066D+00  0.407329D+01  0.460877D+01 -0.166979D+01  0.313309D+00
      2   0.180325D+01  0.317349D+01 -0.574090D+01  0.481191D+01 -0.482964D+01
      3  -0.145407D+01  0.160643D+02  0.116719D+02  0.156889D+01 -0.197781D+01
               116           117           118           119           120 
      1   0.205096D+01 -0.358615D+01 -0.222107D+01 -0.281164D+01  0.919794D+00
      2   0.384613D+01  0.189707D+02  0.130556D+02  0.241004D+01 -0.653727D+01
      3   0.296518D+01 -0.414689D+01 -0.160956D+00 -0.876559D+00  0.337344D+00
               121           122           123           124           125 
      1  -0.128788D+01 -0.676422D+00  0.919227D+00  0.117013D+01  0.305382D+01
      2   0.292941D+01  0.213279D+01 -0.170817D+01 -0.834703D+01 -0.125176D+01
      3   0.118568D+01 -0.131282D+00 -0.981982D+00 -0.599746D-02  0.866397D-02
               126           127           128           129           130 
      1  -0.173952D+01  0.126325D+01  0.209359D+01  0.184033D+00  0.241869D+01
      2   0.682024D+01  0.337320D+00 -0.826500D+00  0.475173D-01 -0.220579D+01
      3   0.683966D-01 -0.659273D+00 -0.196538D+01 -0.346935D+00  0.815711D+00
               131           132           133           134           135 
      1   0.128645D+02  0.438747D+00  0.623780D+00  0.290415D+01  0.153158D+01
      2   0.622174D+00  0.271575D+01 -0.144600D+01  0.913513D+00  0.643199D+00
      3  -0.934851D+01 -0.276194D+01 -0.446851D-01 -0.169674D+01 -0.164410D+01
               136           137           138           139           140 
      1  -0.405720D+01  0.455352D+01 -0.116483D+01  0.331222D+01 -0.366106D+01
      2  -0.522228D+01  0.226097D+01  0.107565D+01  0.348897D+01 -0.119304D+01
      3   0.243446D+01 -0.450886D+01  0.161282D+01 -0.147186D+01  0.317742D+01
               141           142           143           144           145 
      1   0.129047D+01 -0.167580D+01  0.301107D+01 -0.201936D+01  0.509966D+00
      2  -0.140532D+01 -0.293029D+01 -0.981263D-01  0.465674D+00 -0.247585D+01
      3  -0.198771D+01  0.947439D+00 -0.182975D+01  0.181034D+01  0.918052D+00
               146           147           148           149           150 
      1   0.248836D+00  0.196845D-01 -0.203522D+00  0.643687D+00  0.287585D+00
      2  -0.398039D+00 -0.729775D+00 -0.802878D+00 -0.180123D+01 -0.282800D+01
      3  -0.841960D+00 -0.654433D-01 -0.325151D+00  0.222180D+00  0.225527D+01
               151           152           153           154           155 
      1  -0.538026D-01  0.414813D+01  0.271811D+01  0.184397D+01 -0.144436D+01
      2  -0.218922D+01 -0.197003D+01 -0.213400D+02  0.834494D+01 -0.324398D+01
      3   0.127095D+00  0.303118D+01  0.192143D+01  0.695021D+01 -0.797019D+01
               156           157           158           159           160 
      1   0.103752D+01 -0.164610D+01  0.102154D+01 -0.166854D+01  0.294383D+00
      2   0.558112D+01 -0.370185D+01  0.329627D+01 -0.443019D+01  0.319850D+01
      3   0.126198D+01 -0.549144D+01  0.586775D+01 -0.144318D+01  0.151107D+01
               161           162           163           164           165 
      1   0.192247D+00  0.915269D+00 -0.150936D+01 -0.186948D+01 -0.350323D+00
      2  -0.238896D+01  0.237945D+01  0.214128D+01  0.954223D+00  0.148499D+01
      3  -0.294888D+01  0.203859D+01 -0.315849D+01 -0.582070D+01  0.458345D+00
               166           167           168           169           170 
      1  -0.227943D+01 -0.615218D+01 -0.306709D+01 -0.802264D-01  0.342524D-02
      2   0.124699D+01  0.242964D+01  0.368807D+01  0.526466D+00  0.159654D+01
      3  -0.486688D+01 -0.182469D+02 -0.800270D-01  0.199926D+00 -0.155044D+01
               171 
      1  -0.634399D+00
      2  -0.490678D+00
      3  -0.165397D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.522811D+02 -0.233053D+00  0.118005D+01  0.134284D+02  0.106849D+02
      2   0.296997D+02  0.462037D+01 -0.388620D+01 -0.893791D+01 -0.130170D+02
      3   0.225814D+02 -0.438732D+01  0.270615D+01 -0.449051D+01  0.233216D+01
      4   0.103183D+02 -0.136414D+02 -0.109337D+00  0.993859D+00  0.715728D+01
      5   0.255261D+01  0.550296D+00 -0.148588D+02 -0.123542D+01  0.412071D+00
      6  -0.192401D+00 -0.602211D+00  0.446014D+01 -0.888286D-01 -0.298883D+00
                 6             7             8             9            10 
      1  -0.275833D+01  0.103675D+02 -0.189062D+01 -0.640197D+01 -0.162532D+01
      2   0.935247D+00 -0.751971D+01 -0.163120D+00 -0.385705D+01  0.576636D+01
      3   0.182309D+01 -0.284779D+01  0.205373D+01  0.102590D+02 -0.414104D+01
      4   0.709704D+00 -0.638798D+00  0.365207D+01  0.125765D+01 -0.227398D+01
      5   0.868496D+01  0.476468D+01 -0.124592D+00  0.671516D+01 -0.228124D+01
      6  -0.482967D+01  0.839540D+00  0.235842D+01  0.129079D+01 -0.107868D+00
                11            12            13            14            15 
      1  -0.162938D+01 -0.100844D+01  0.760930D+01  0.612725D+00  0.175679D+01
      2   0.340217D+01 -0.154222D+00 -0.397305D+01 -0.618258D+01  0.582776D+01
      3  -0.177279D+01  0.116266D+01 -0.363625D+01  0.556985D+01 -0.758455D+01
      4  -0.287373D+00  0.751505D-01 -0.475777D+01  0.639819D+00 -0.159271D+01
      5  -0.168082D+01  0.282999D+00 -0.232542D+01 -0.348585D+00  0.399369D+01
      6  -0.172006D+01  0.225018D+01 -0.134490D+01  0.104441D+01 -0.308953D+01
                16            17            18            19            20 
      1  -0.771284D+01  0.473382D+00  0.145550D+02 -0.234353D+01 -0.294591D+01
      2   0.249597D+01 -0.366999D+01  0.156537D+02 -0.440135D+01 -0.176708D+01
      3   0.521688D+01  0.319661D+01 -0.302087D+02  0.674488D+01  0.471298D+01
      4  -0.145125D+01 -0.834047D+00 -0.317641D+01 -0.399569D+01  0.525928D+01
      5   0.407298D+00 -0.118340D+01 -0.132661D+01  0.142453D+02  0.158208D+01
      6  -0.318547D+01  0.984506D+00  0.728473D+01  0.328798D+00  0.272850D+01
                21            22            23            24            25 
      1   0.981053D+01 -0.881016D+01  0.107053D+02  0.149506D+01  0.147323D+02
      2  -0.432769D+01  0.513800D+01 -0.948651D+01 -0.114641D+00 -0.606580D+01
      3  -0.548284D+01  0.367215D+01 -0.121879D+01 -0.138042D+01 -0.866654D+01
      4   0.279760D+00  0.955170D+01  0.744830D+01  0.201018D+01  0.664108D+00
      5  -0.172969D+01  0.124614D+01  0.181838D+01 -0.491977D+01 -0.220259D+01
      6  -0.250854D+01  0.180017D+01 -0.281639D+01  0.435660D+01 -0.279399D+01
                26            27            28            29            30 
      1   0.468804D+00 -0.596092D+01 -0.777218D+00 -0.825044D+01 -0.320166D+01
      2   0.809672D+00  0.483051D+01  0.778909D+00  0.130516D+02 -0.108420D+01
      3  -0.127848D+01  0.113041D+01 -0.169077D-02 -0.480120D+01  0.428586D+01
      4   0.142315D+01 -0.557616D+01 -0.325729D+01 -0.148036D+02  0.234271D+01
      5  -0.494626D+01 -0.134375D+02 -0.443493D+01  0.101011D+01 -0.713298D+01
      6   0.365482D+01 -0.159429D+01  0.649118D+00 -0.107527D+01  0.997174D+01
                31            32            33            34            35 
      1  -0.486717D+01 -0.207091D+01  0.324315D+00 -0.297535D+01  0.131376D+01
      2   0.792122D+01  0.197790D+01  0.664054D+01 -0.207418D+01  0.763145D+01
      3  -0.305405D+01  0.930036D-01 -0.696485D+01  0.504953D+01 -0.894522D+01
      4  -0.715090D+01  0.555958D+01 -0.303835D+01  0.208567D+01 -0.251692D+01
      5   0.514621D+00 -0.171216D+01  0.420843D+01 -0.476933D+01  0.874486D+01
      6  -0.323166D+01  0.840857D+01 -0.126949D+02  0.981578D+01 -0.184484D+02
                36            37            38            39            40 
      1   0.125912D+02  0.610139D+01  0.392863D+01  0.957180D+00 -0.288090D+01
      2  -0.105376D+02  0.965990D+00 -0.176804D+01  0.752549D+00  0.382957D+01
      3  -0.205357D+01 -0.706738D+01 -0.216059D+01 -0.170973D+01 -0.948668D+00
      4   0.117182D+02  0.101986D+02  0.190245D+02 -0.878692D+00  0.106113D+02
      5   0.770400D+01  0.154132D+01  0.478479D+00  0.910570D+01  0.667258D+00
      6  -0.131691D+02  0.809581D+00 -0.136177D+01 -0.131812D+01  0.503996D+00
                41            42            43            44            45 
      1  -0.170968D+02  0.150633D+01 -0.443966D+00  0.582643D+00 -0.481971D+01
      2   0.275040D+02 -0.840041D+00  0.619929D+00 -0.545289D-01  0.321194D+01
      3  -0.104073D+02 -0.666288D+00 -0.175962D+00 -0.528114D+00  0.160776D+01
      4   0.944079D+01 -0.868277D+00 -0.102479D+01 -0.166020D+01  0.565120D+01
      5   0.104974D+01 -0.256781D+01  0.317809D+01  0.405788D+01 -0.186270D+01
      6  -0.363307D+00  0.102322D+02  0.176024D+01  0.914691D+01 -0.218854D+01
                46            47            48            49            50 
      1   0.100934D+03 -0.903042D+01 -0.365530D+01 -0.115738D+02  0.760368D+01
      2  -0.577884D+02  0.479234D+01  0.307026D+01  0.683910D+01  0.686864D-01
      3  -0.431458D+02  0.423808D+01  0.585037D+00  0.473473D+01 -0.767237D+01
      4  -0.761625D+01  0.236458D+02  0.627892D+00  0.205765D+02 -0.829384D+01
      5  -0.232614D+01  0.246365D+00  0.245010D+02  0.115819D+01 -0.108584D+01
      6   0.259856D+00  0.727284D+00 -0.254068D+01 -0.741196D+00 -0.412779D+00
                51            52            53            54            55 
      1   0.103752D+01 -0.937999D+01  0.134659D+01  0.128787D+02 -0.112531D+01
      2  -0.512145D+00  0.665864D+01 -0.539216D-01 -0.116154D+02 -0.136231D+01
      3  -0.525371D+00  0.272135D+01 -0.129267D+01 -0.126324D+01  0.248762D+01
      4  -0.215637D+01  0.137425D+01 -0.346907D+01 -0.127236D+01  0.161618D+02
      5  -0.497732D+01  0.238482D+02 -0.357427D+01 -0.755384D+01  0.632232D+00
      6   0.512052D+01 -0.301852D+00  0.438329D+01 -0.723309D-02 -0.188316D+01
                56            57            58            59            60 
      1  -0.399826D+01  0.768887D+00 -0.258201D+01 -0.239395D+02 -0.144736D+01
      2   0.875687D+01  0.104542D+01  0.219729D+01  0.375273D+02 -0.451847D+01
      3  -0.475861D+01 -0.181431D+01  0.384727D+00 -0.135877D+02  0.596583D+01
      4  -0.589716D+01 -0.184912D+01  0.448204D+01 -0.260180D+01  0.151241D+01
      5  -0.115109D+01  0.264505D+01  0.744250D+00  0.274351D+00 -0.242115D+01
      6   0.692537D+00  0.179648D+01  0.144400D+01 -0.269079D+01  0.102821D+02
                61            62            63            64            65 
      1   0.387957D+00 -0.518627D+00 -0.687256D+01 -0.557000D+00  0.978857D+00
      2   0.571248D+00  0.308429D+01  0.139122D+01 -0.411842D+01 -0.541292D+00
      3  -0.959206D+00 -0.256566D+01  0.548135D+01  0.467542D+01 -0.437565D+00
      4  -0.159976D+01  0.181584D+01  0.590762D+00  0.113100D+01  0.214177D+01
      5   0.263694D+01 -0.103800D+01  0.106141D+00  0.474484D+00 -0.257776D+00
      6   0.100551D+01  0.875788D+01 -0.688591D-01 -0.145357D+01  0.191616D+00
                66            67            68            69            70 
      1   0.560547D+00 -0.133055D+00 -0.389589D+01  0.845578D+00  0.178239D+01
      2   0.570579D-02  0.495095D+00  0.518948D+00 -0.339534D+01  0.460664D+00
      3  -0.566253D+00 -0.362040D+00  0.337694D+01  0.254977D+01 -0.224306D+01
      4  -0.156025D+01  0.185934D+01  0.576660D-02  0.563586D+00 -0.150705D+01
      5   0.681198D+01  0.451033D+00  0.306445D+00  0.987178D-01  0.568315D+01
      6  -0.170948D-01  0.186890D+00 -0.183851D+01  0.664756D+01  0.752466D+00
                71            72            73            74            75 
      1   0.333219D+01 -0.213097D+02  0.678177D+00  0.308611D+01 -0.422502D+00
      2  -0.298340D+01 -0.206306D+02  0.457910D+01 -0.951740D+01  0.202684D+01
      3  -0.348788D+00  0.419403D+02 -0.525728D+01  0.643128D+01 -0.160434D+01
      4   0.160766D+01  0.175293D+01 -0.947177D+01  0.134340D+02 -0.579205D+01
      5   0.213260D+00  0.398877D+01  0.351589D+01 -0.323200D+01  0.401271D+01
      6   0.610438D+01 -0.116268D+02 -0.586938D+01  0.457607D+01 -0.492673D+01
                76            77            78            79            80 
      1   0.405316D+01 -0.147471D+02  0.505804D+01 -0.483961D+00  0.870792D+01
      2  -0.847170D+01  0.277520D+02 -0.916295D+01  0.237192D+01 -0.147524D+02
      3   0.441854D+01 -0.130048D+02  0.410491D+01 -0.188796D+01  0.604448D+01
      4   0.989385D+01 -0.144190D+02  0.502080D+01 -0.739646D+01  0.851193D+01
      5  -0.239967D+01  0.370532D+01 -0.351435D+01  0.446589D+01 -0.513841D+01
      6   0.349113D+01 -0.123738D+02  0.102444D+02 -0.604923D+01  0.146136D+02
                81            82            83            84            85 
      1  -0.782750D+01 -0.884155D+00  0.135344D+01  0.249886D+00  0.250635D+01
      2   0.752271D+01  0.266542D+00 -0.269607D+01  0.196946D+00 -0.362804D+01
      3   0.304792D+00  0.617614D+00  0.134263D+01 -0.446832D+00  0.112169D+01
      4  -0.710790D+01 -0.351184D+01  0.687006D+01  0.524094D+01  0.473751D+01
      5   0.442590D+01 -0.321585D+01  0.303227D+01  0.648215D+01  0.152291D+01
      6  -0.105605D+02  0.577187D+01 -0.249381D+01 -0.446242D+01 -0.197446D+01
                86            87            88            89            90 
      1  -0.945662D+01 -0.687789D+01  0.161694D+01 -0.116635D+02 -0.170203D+02
      2   0.110491D+02  0.623652D+01  0.103477D+01  0.868508D+01  0.344105D+01
      3  -0.159252D+01  0.641370D+00 -0.265171D+01  0.297846D+01  0.135793D+02
      4  -0.574668D+01 -0.256844D+01  0.635818D+01 -0.569307D+01 -0.761033D+01
      5  -0.293357D+01 -0.300775D+01  0.743770D+01 -0.617700D+01 -0.104482D+02
      6   0.104948D+02  0.124263D+02 -0.668535D+01  0.192657D+02  0.269086D+02
                91            92            93            94            95 
      1   0.670050D+01  0.335324D+01 -0.891875D+00 -0.949005D+00 -0.117352D+01
      2   0.332235D+01 -0.122592D+02 -0.889083D+00 -0.341625D+01  0.693770D+01
      3  -0.100229D+02  0.890596D+01  0.178096D+01  0.436525D+01 -0.576418D+01
      4  -0.225025D+02  0.184532D+02  0.252336D+01  0.839978D+01 -0.772318D+01
      5  -0.652143D+00  0.590944D+00  0.227546D+01  0.137673D+00 -0.507283D+00
      6   0.214580D+01 -0.446498D+00 -0.418860D+01 -0.642377D+00  0.429553D+00
                96            97            98            99           100 
      1   0.795165D-01 -0.359267D+00 -0.127545D+01 -0.730825D+00  0.482089D+01
      2   0.350674D+00 -0.748431D+00  0.218337D+01  0.399412D+00  0.881591D+01
      3  -0.430190D+00  0.110770D+01 -0.907916D+00  0.331413D+00 -0.136368D+02
      4  -0.890278D+00  0.328126D+01 -0.255274D+01 -0.342055D+01  0.841606D+01
      5  -0.981315D+00  0.323438D+01 -0.231493D+01 -0.863141D+00 -0.108201D+02
      6   0.231186D+01 -0.292793D+01  0.392127D+01  0.194616D+01  0.919593D+01
               101           102           103           104           105 
      1   0.886144D+01 -0.153698D+02  0.114049D+02 -0.105313D+01  0.152579D+01
      2  -0.625373D+01  0.337821D+01 -0.928330D+01 -0.264509D+00 -0.767457D+01
      3  -0.260771D+01  0.119916D+02 -0.212162D+01  0.131764D+01  0.614878D+01
      4  -0.576774D+01  0.307266D+01 -0.854086D+01 -0.116417D+02 -0.809310D+01
      5   0.952366D+01 -0.120322D+02  0.100992D+02 -0.128000D+02  0.597119D+01
      6  -0.736281D+01  0.172097D+01 -0.986325D+01 -0.130874D+02 -0.764636D+01
               106           107           108           109           110 
      1  -0.133378D+02  0.121707D+00 -0.311860D+01 -0.123070D+02  0.162190D+02
      2   0.226144D+01 -0.642405D+01 -0.666472D+01  0.123477D+01 -0.933351D+01
      3   0.110764D+02  0.630235D+01  0.978332D+01  0.110722D+02 -0.688546D+01
      4   0.226530D+01 -0.460795D+01  0.565328D+01  0.162132D+02 -0.159957D+02
      5  -0.106284D+02  0.528534D+01  0.128262D+02 -0.170216D+02 -0.645960D+00
      6   0.228384D+01 -0.554024D+01  0.722031D+01 -0.386678D+01  0.281637D+01
               111           112           113           114           115 
      1  -0.150777D+02  0.214262D+02 -0.156508D+02  0.437978D+01 -0.203184D+02
      2   0.909163D+01 -0.148854D+02  0.342112D+00  0.326450D+00  0.869081D+01
      3   0.598606D+01 -0.654083D+01  0.153087D+02 -0.470623D+01  0.116276D+02
      4   0.135358D+01 -0.234858D+02 -0.229681D+02 -0.364068D+01  0.251362D+01
      5   0.829547D+01 -0.590667D+00 -0.206071D+01  0.695519D+01  0.611377D+01
      6   0.466308D+00  0.479012D+01  0.505359D+01  0.143990D+01  0.786305D+00
               116           117           118           119           120 
      1   0.518223D+01  0.146161D+02 -0.762585D+01 -0.224805D+01  0.132990D+02
      2  -0.120572D+01  0.700459D+01 -0.298514D+01  0.489216D+00  0.519004D+01
      3  -0.397651D+01 -0.216207D+02  0.106110D+02  0.175883D+01 -0.184891D+02
      4  -0.615439D+01  0.777978D+01 -0.131508D+01  0.942509D+00  0.226795D+00
      5   0.658369D+01  0.240622D+02 -0.106183D+02 -0.271347D+01  0.632723D+01
      6   0.157300D+01 -0.228962D+01 -0.293563D+01 -0.389279D+01  0.141592D+01
               121           122           123           124           125 
      1  -0.328427D+01 -0.334364D+01  0.317525D+01  0.924005D+01  0.182639D+01
      2   0.126922D+01  0.463596D+00  0.190889D+01  0.280922D+01  0.149939D+01
      3   0.201505D+01  0.288005D+01 -0.508414D+01 -0.120493D+02 -0.332577D+01
      4   0.204533D+01  0.110628D+01  0.896361D+00  0.430766D+00  0.548455D+00
      5  -0.295198D+01 -0.229819D+00 -0.603372D+00  0.788027D+01  0.337450D+00
      6  -0.244838D+01 -0.109767D+01  0.600876D+01  0.134515D+01  0.473940D+01
               126           127           128           129           130 
      1  -0.140714D+02  0.134665D+01  0.140551D+01  0.204444D+01  0.192871D+01
      2  -0.749116D+01 -0.881538D+00  0.596724D+00 -0.108234D+01  0.214826D+00
      3   0.215625D+02 -0.465110D+00 -0.200224D+01 -0.962100D+00 -0.214354D+01
      4  -0.100331D+01  0.415168D+01  0.762054D+01  0.200668D+01  0.935848D+01
      5  -0.488315D+01  0.453227D+01  0.351690D+01  0.528694D+01  0.629141D+01
      6  -0.255092D+01  0.269710D+01  0.445169D+01  0.182812D+01  0.653348D+01
               131           132           133           134           135 
      1  -0.869370D+01 -0.635305D+01  0.638351D+00 -0.412042D+01 -0.390147D+01
      2   0.129498D+02 -0.188971D+00 -0.916686D+00  0.153846D+00  0.291067D+00
      3  -0.425611D+01  0.654202D+01  0.278335D+00  0.396658D+01  0.361040D+01
      4   0.193154D+02  0.718505D+01  0.734270D+00  0.350094D+01  0.310001D+01
      5   0.963076D+01  0.790082D+01  0.389945D+01  0.353955D+01  0.230406D+01
      6   0.241464D+02  0.127353D+02  0.168297D+01  0.941099D+01  0.594535D+01
               136           137           138           139           140 
      1   0.184810D+02 -0.541279D+01  0.556191D+01 -0.754482D+01  0.198810D+01
      2  -0.166201D+02  0.414077D+01 -0.109395D+02  0.613076D+01 -0.131949D+01
      3  -0.186089D+01  0.127202D+01  0.537757D+01  0.141406D+01 -0.668607D+00
      4  -0.816835D+01  0.807783D+01 -0.389000D+01  0.876603D+01 -0.721276D+01
      5   0.246368D+02 -0.855429D+01  0.194726D+02 -0.121829D+02  0.941382D+01
      6  -0.727244D+01  0.743234D+01 -0.451719D+01  0.770108D+01 -0.690584D+01
               141           142           143           144           145 
      1   0.310796D+00  0.356403D+01  0.363495D+00  0.308637D+00 -0.695939D-02
      2   0.584607D+01 -0.767101D+01  0.355228D+01 -0.898044D+01 -0.202146D+01
      3  -0.615686D+01  0.410697D+01 -0.391577D+01  0.867181D+01  0.202842D+01
      4   0.570183D+01 -0.257267D+01  0.325079D+01 -0.416261D+01 -0.207845D+01
      5  -0.104770D+02  0.143699D+02 -0.600517D+01  0.133155D+02 -0.185320D+01
      6   0.755848D+01 -0.390400D+01  0.516657D+01 -0.576137D+01  0.661553D+00
               146           147           148           149           150 
      1  -0.239433D+01 -0.467640D+01 -0.399925D+01 -0.658070D+00 -0.186709D+01
      2   0.136667D+01  0.146633D+01  0.279873D+01 -0.596690D+00 -0.163457D+01
      3   0.102766D+01  0.321006D+01  0.120053D+01  0.125476D+01  0.350166D+01
      4   0.174178D+01 -0.147485D+00  0.410664D+01  0.326740D+00 -0.435307D+01
      5   0.574805D+00  0.405414D+01  0.194998D+01 -0.401521D+01 -0.493961D+01
      6   0.495308D+00  0.256231D-01 -0.111208D+01  0.128623D+01  0.612029D+01
               151           152           153           154           155 
      1  -0.653518D+01 -0.172531D+01 -0.148086D+02  0.515270D+02 -0.153917D+02
      2   0.659435D+01 -0.874775D+00 -0.186407D+02 -0.240641D+02  0.635894D+01
      3  -0.591656D-01  0.260008D+01  0.334494D+02 -0.274629D+02  0.903279D+01
      4  -0.638099D+00 -0.517624D+01 -0.351036D+01 -0.167193D+02  0.146122D+02
      5   0.120823D+02 -0.274033D+01 -0.381976D+02 -0.164721D-01 -0.358369D+00
      6   0.216972D+00  0.600497D+01  0.413218D+00  0.258880D+01 -0.241527D+01
               156           157           158           159           160 
      1   0.616557D+01 -0.239964D+02  0.122459D+02 -0.224326D+01  0.155548D+02
      2  -0.211976D+01  0.103221D+02 -0.175805D+01 -0.323180D+00 -0.692179D+01
      3  -0.404581D+01  0.136744D+02 -0.104879D+02  0.256645D+01 -0.863303D+01
      4  -0.218665D+01  0.186038D+02 -0.122367D+02  0.265699D+01 -0.431274D+01
      5   0.716352D+01  0.946317D+00  0.989516D+00 -0.642303D+01  0.720448D+01
      6  -0.253359D+00 -0.250597D+01  0.104683D+01  0.123734D+01 -0.672032D+00
               161           162           163           164           165 
      1  -0.349824D+01  0.450318D+01  0.121872D+02  0.647567D+01  0.124135D+01
      2   0.778184D+00 -0.403811D+01 -0.280857D+01 -0.503154D+00 -0.508839D+00
      3   0.272006D+01 -0.465071D+00 -0.937867D+01 -0.597252D+01 -0.732507D+00
      4   0.533369D+01 -0.442446D+01  0.991543D+01  0.150036D+02 -0.500932D+00
      5  -0.414569D+01  0.300901D+01 -0.739106D+00 -0.167711D+01  0.198678D+01
      6   0.705240D+00 -0.292608D+00 -0.152719D+01 -0.274123D+01  0.797252D+00
               166           167           168           169           170 
      1   0.112001D+02  0.431653D+01 -0.504448D+00  0.489455D+01  0.416416D+00
      2  -0.432737D+00  0.127789D+02  0.140610D+01 -0.141922D+01  0.124768D+01
      3  -0.107673D+02 -0.170955D+02 -0.901651D+00 -0.347533D+01 -0.166410D+01
      4   0.223819D+02  0.374394D+02 -0.903853D+00  0.143419D+01  0.302010D+01
      5  -0.404288D+01 -0.190727D+01  0.701947D+01  0.282661D+01  0.422167D+01
      6  -0.434597D+01 -0.919004D+01  0.448882D+01  0.162671D+01  0.363163D+01
               171 
      1  -0.124255D+01
      2   0.762106D-01
      3   0.116634D+01
      4   0.376066D+01
      5  -0.173221D+01
      6  -0.642859D-01
 Leave Link  716 at Fri Jul 16 13:29:01 2021, MaxMem=  5637144576 cpu:               4.5 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.924328D+02 -0.440437D+01 -0.184821D+01
      2  -0.440437D+01  0.804340D+02  0.835018D+00
      3  -0.184821D+01  0.835018D+00  0.729501D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.102624D+01 -0.161485D+01 -0.700876D+00
      2   0.388890D+01  0.101453D+01  0.344309D+02
      3  -0.141817D+02 -0.175695D+02 -0.222002D+00
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.321170D+02  0.134882D+02  0.463835D+01
      2  -0.195015D+02 -0.635117D+01 -0.747935D+00
      3  -0.126155D+02 -0.713702D+01 -0.389041D+01
      4   0.304835D+01  0.475155D+02  0.525270D+00
      5   0.711277D+01  0.567979D+00  0.794774D+02
      6  -0.257445D+00  0.427699D+01 -0.296483D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.804725D+01 -0.244538D+01 -0.487032D+00 -0.189621D+01 -0.160556D+01
      2  -0.244538D+01  0.827169D+00  0.792957D-01 -0.160556D+01  0.491370D+00
      3  -0.487032D+00  0.792957D-01  0.207346D+00  0.261283D+00  0.494871D-01
                 6             7             8             9            10 
      1   0.261283D+00 -0.176720D+01 -0.692807D-01  0.248387D+00 -0.358345D+01
      2   0.494871D-01 -0.692807D-01 -0.694638D+00 -0.295666D+00  0.250155D+01
      3  -0.715593D+00  0.248387D+00 -0.295666D+00 -0.817915D+00 -0.124880D+01
                11            12            13            14            15 
      1   0.250155D+01 -0.124880D+01  0.330627D+01  0.467390D+00 -0.135709D+00
      2  -0.788034D-01  0.851816D-01  0.467390D+00 -0.123614D+01 -0.177599D+00
      3   0.851816D-01 -0.786587D+00 -0.135709D+00 -0.177599D+00  0.212964D+01
                16            17            18            19            20 
      1  -0.846629D+00  0.741993D+00 -0.863719D+00  0.236563D+01 -0.191906D+01
      2   0.741993D+00 -0.103770D+01  0.795719D+00 -0.191906D+01  0.314455D+01
      3  -0.863719D+00  0.795719D+00  0.757516D+01  0.349666D+01  0.122588D+00
                21            22            23            24            25 
      1   0.349666D+01 -0.212042D+01  0.274018D+01 -0.168830D+00  0.403966D+01
      2   0.122588D+00  0.274018D+01  0.327735D+01  0.154197D+01 -0.371991D-01
      3  -0.614756D+00 -0.168830D+00  0.154197D+01 -0.194452D+01 -0.600037D+00
                26            27            28            29            30 
      1  -0.371991D-01 -0.600037D+00  0.224502D+01  0.499903D+00 -0.120508D+01
      2   0.116644D+01 -0.184988D+01  0.499903D+00 -0.284229D+01 -0.157152D+00
      3  -0.184988D+01 -0.674775D+01 -0.120508D+01 -0.157152D+00 -0.249901D+01
                31            32            33            34            35 
      1  -0.106639D+00 -0.281950D+01  0.510436D+00 -0.961613D+00  0.203009D+00
      2  -0.281950D+01 -0.910758D+00 -0.137876D+01  0.203009D+00 -0.128745D+01
      3   0.510436D+00 -0.137876D+01  0.250773D+01 -0.175297D+01  0.395916D+01
                36            37            38            39            40 
      1  -0.175297D+01 -0.392283D+01 -0.233262D+01  0.341101D+00 -0.183199D+01
      2   0.395916D+01 -0.233262D+01 -0.834994D+00  0.320316D+00 -0.290645D+00
      3   0.396384D+01  0.341101D+00  0.320316D+00  0.679921D+00 -0.249112D+00
                41            42            43            44            45 
      1  -0.290645D+00 -0.249112D+00  0.637982D+00  0.228911D+00 -0.562485D+00
      2  -0.552160D+01  0.532615D+00  0.228911D+00  0.668187D+00 -0.149762D+01
      3   0.532615D+00 -0.810181D+00 -0.562485D+00 -0.149762D+01  0.612945D+00
                46            47            48            49            50 
      1  -0.175700D+02  0.252301D+01  0.943686D+00  0.200559D+01 -0.288534D+01
      2   0.252301D+01 -0.368949D+01 -0.177570D+00 -0.288534D+01  0.239536D+01
      3   0.943686D+00 -0.177570D+00 -0.205459D+01 -0.158410D+00  0.318507D+00
                51            52            53            54            55 
      1  -0.158410D+00  0.225165D+01 -0.178726D+00 -0.364005D+01  0.394489D+01
      2   0.318507D+00 -0.178726D+00  0.721674D+00  0.779689D+00 -0.433144D+00
      3   0.795248D+00 -0.364005D+01  0.779689D+00  0.123586D+01  0.533454D-01
                56            57            58            59            60 
      1  -0.433144D+00  0.533454D-01 -0.371329D+00  0.367566D-01  0.375354D+00
      2   0.390191D+01  0.268097D+00  0.367566D-01  0.601063D+01 -0.437651D+00
      3   0.268097D+00  0.106275D+01  0.375354D+00 -0.437651D+00 -0.552277D+00
                61            62            63            64            65 
      1  -0.814944D+00  0.554462D-02  0.400344D+00  0.896152D+00 -0.353054D+00
      2   0.554462D-02 -0.225563D-01  0.106517D+01 -0.353054D+00 -0.139635D+00
      3   0.400344D+00  0.106517D+01 -0.377055D+00 -0.111391D+01  0.637421D-01
                66            67            68            69            70 
      1  -0.111391D+01 -0.511978D+00 -0.216561D+00  0.420013D-01 -0.183548D+01
      2   0.637421D-01 -0.216561D+00  0.476366D+00 -0.128830D+01  0.276958D-01
      3   0.342167D+00  0.420013D-01 -0.128830D+01 -0.204980D+00  0.152924D+00
                71            72            73            74            75 
      1   0.276958D-01  0.152924D+00  0.173842D+01 -0.175106D+01  0.118186D+01
      2  -0.171258D+01  0.379487D+00 -0.175106D+01  0.243681D+01 -0.759120D+00
      3   0.379487D+00 -0.958061D+01  0.118186D+01 -0.759120D+00  0.109609D+01
                76            77            78            79            80 
      1  -0.151754D+01  0.201650D+01 -0.578224D+00  0.159864D+01 -0.101688D+01
      2   0.201650D+01 -0.549556D+01  0.192348D+01 -0.101688D+01  0.341676D+01
      3  -0.578224D+00  0.192348D+01 -0.178188D+01  0.127681D+01 -0.252072D+01
                81            82            83            84            85 
      1   0.127681D+01  0.707566D+00 -0.848654D+00 -0.132459D+01 -0.554197D+00
      2  -0.252072D+01 -0.848654D+00  0.851901D+00  0.552856D+00  0.102433D+01
      3   0.196996D+01 -0.132459D+01  0.552856D+00  0.106715D+01  0.257925D+00
                86            87            88            89            90 
      1   0.102433D+01  0.257925D+00 -0.221948D+01  0.531478D+00  0.148009D+01
      2  -0.256792D+01 -0.178859D+01  0.531478D+00 -0.302832D+01 -0.366152D+01
      3  -0.178859D+01 -0.188590D+01  0.148009D+01 -0.366152D+01 -0.647733D+01
                91            92            93            94            95 
      1  -0.485751D+01  0.229468D+01  0.463881D+00  0.164032D+01 -0.136545D+01
      2   0.229468D+01 -0.455255D+01 -0.309691D+00 -0.136545D+01  0.184373D+01
      3   0.463881D+00 -0.309691D+00 -0.113316D+01 -0.191031D+00  0.136299D+00
                96            97            98            99           100 
      1  -0.191031D+00  0.942395D+00 -0.329050D+00 -0.634152D+00  0.267738D-01
      2   0.136299D+00 -0.329050D+00  0.914556D+00  0.743727D+00  0.266772D+01
      3   0.561023D+00 -0.634152D+00  0.743727D+00  0.460567D+00 -0.454849D+01
               101           102           103           104           105 
      1   0.266772D+01 -0.454849D+01  0.291176D+01 -0.264143D+01  0.386820D+00
      2  -0.205074D+01  0.403573D+00 -0.264143D+01 -0.442451D+01 -0.267712D+01
      3   0.403573D+00  0.142655D+01  0.386820D+00 -0.267712D+01  0.201441D+01
               106           107           108           109           110 
      1  -0.393826D+01  0.220120D+00  0.130057D+01 -0.159252D+01  0.252643D+01
      2   0.220120D+00 -0.117696D+01  0.176499D+01  0.252643D+01 -0.300764D+01
      3   0.130057D+01  0.176499D+01  0.391624D+01 -0.320120D+01  0.263420D+00
               111           112           113           114           115 
      1  -0.320120D+01  0.292311D+01 -0.377677D+01  0.248096D+00 -0.355173D+01
      2   0.263420D+00 -0.377677D+01 -0.441220D+01 -0.902681D+00  0.279407D+00
      3   0.154793D+01  0.248096D+00 -0.902681D+00  0.179635D+01  0.547832D+00
               116           117           118           119           120 
      1   0.279407D+00  0.547832D+00 -0.388484D+01 -0.839945D+00  0.244154D+01
      2  -0.107723D+01  0.154849D+01 -0.839945D+00 -0.808949D+00  0.237878D+00
      3   0.154849D+01  0.681685D+01  0.244154D+01  0.237878D+00 -0.374353D+01
               121           122           123           124           125 
      1  -0.976508D+00 -0.502018D+00  0.381351D+00  0.209777D+01  0.225766D+00
      2  -0.502018D+00 -0.101447D+00  0.103641D+01  0.225766D+00  0.798806D+00
      3   0.381351D+00  0.103641D+01 -0.120472D+01 -0.204072D+01 -0.611879D+00
               126           127           128           129           130 
      1  -0.204072D+01  0.815776D+00  0.905271D+00  0.880885D+00  0.150315D+01
      2  -0.611879D+00  0.905271D+00  0.119726D+01  0.347990D+00  0.171177D+01
      3   0.360746D+01  0.880885D+00  0.347990D+00  0.260408D+00  0.828240D+00
               131           132           133           134           135 
      1   0.171177D+01  0.828240D+00  0.555517D+00  0.273722D+00  0.261121D+00
      2   0.660744D+01  0.239277D+01  0.273722D+00  0.125691D+01  0.110004D+01
      3   0.239277D+01  0.250264D+01  0.261121D+00  0.110004D+01  0.775411D+00
               136           137           138           139           140 
      1   0.489805D+01 -0.178195D+01  0.293966D+01 -0.253743D+01  0.182070D+01
      2  -0.178195D+01  0.173314D+01 -0.883656D+00  0.182070D+01 -0.151487D+01
      3   0.293966D+01 -0.883656D+00  0.259840D+01 -0.135894D+01  0.147997D+01
               141           142           143           144           145 
      1  -0.135894D+01  0.188664D+01 -0.671673D+00  0.166030D+01 -0.169824D+00
      2   0.147997D+01 -0.671673D+00  0.827162D+00 -0.108599D+01 -0.384537D+00
      3  -0.219232D+01  0.166030D+01 -0.108599D+01  0.209122D+01 -0.614414D+00
               146           147           148           149           150 
      1  -0.384537D+00 -0.614414D+00 -0.737325D+00  0.515830D+00  0.176694D+00
      2   0.472386D-01 -0.376407D-01  0.515830D+00 -0.142576D-01 -0.103895D+01
      3  -0.376407D-01 -0.594707D+00  0.176694D+00 -0.103895D+01 -0.117324D+01
               151           152           153           154           155 
      1  -0.166629D+01 -0.569748D-01  0.137203D+01  0.768127D+01 -0.233875D+01
      2  -0.569748D-01 -0.112703D+01 -0.629092D+00 -0.233875D+01  0.195896D+01
      3   0.137203D+01 -0.629092D+00 -0.892317D+01  0.811620D+00 -0.331577D+00
               156           157           158           159           160 
      1   0.811620D+00 -0.410729D+01  0.252967D+01 -0.200932D+00  0.265046D+01
      2  -0.331577D+00  0.252967D+01 -0.169358D+01  0.419238D+00 -0.544921D+00
      3   0.955587D+00 -0.200932D+00  0.419238D+00 -0.108101D+01  0.100508D+01
               161           162           163           164           165 
      1  -0.544921D+00  0.100508D+01  0.221417D+01  0.150959D+01  0.189280D+00
      2   0.829021D+00 -0.714260D+00  0.150959D+01  0.190616D+01 -0.885306D-01
      3  -0.714260D+00  0.316426D+00  0.189280D+00 -0.885306D-01  0.182049D+00
               166           167           168           169           170 
      1   0.297867D+01  0.324013D+01 -0.427012D+00  0.940904D+00  0.167063D+00
      2   0.324013D+01  0.679062D+01 -0.141098D+00  0.167063D+00  0.564952D+00
      3  -0.427012D+00 -0.141098D+00  0.123957D+01  0.388658D+00  0.730139D+00
               171 
      1   0.388658D+00
      2   0.730139D+00
      3  -0.418118D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.139410D+01  0.398945D+01 -0.107862D+01  0.279641D+01  0.166808D+01
      2  -0.178844D+01 -0.296345D+01 -0.107010D+02 -0.242808D+01 -0.598855D+00
      3  -0.167979D+01  0.100357D+02  0.112495D+01 -0.781519D+00 -0.294841D+01
                 6             7             8             9            10 
      1   0.467000D+01  0.654894D+00  0.126657D+02 -0.175800D+01  0.585864D+00
      2   0.278599D+01 -0.138887D+02 -0.335017D+01  0.341703D+01 -0.386932D+01
      3  -0.166026D+01  0.301094D+01 -0.626888D+01  0.341711D+00  0.129983D+01
                11            12            13            14            15 
      1  -0.899775D+00 -0.275687D+01 -0.188366D+01  0.432791D+00 -0.727492D+00
      2   0.218101D+01  0.131093D+01  0.425054D+01  0.291043D+00  0.343195D+01
      3  -0.287831D+01 -0.627918D+00  0.697347D+01 -0.594610D+00  0.114520D+01
                16            17            18            19            20 
      1  -0.110672D+01  0.198953D+01 -0.124587D+01 -0.860554D+00 -0.352654D+00
      2  -0.227063D+01  0.742404D+00 -0.479942D+01  0.878341D+01 -0.140781D+00
      3  -0.671164D+00  0.270531D+01 -0.203422D+01  0.288584D+01 -0.878882D+01
                21            22            23            24            25 
      1   0.839946D+00 -0.429333D+00  0.634524D+00 -0.611247D+01  0.284498D+00
      2   0.422941D+01 -0.804047D+00  0.193808D+01 -0.259628D+01 -0.521793D+01
      3   0.458311D-01 -0.434338D+00 -0.630184D+01 -0.280316D+01  0.926389D+00
                26            27            28            29            30 
      1   0.253133D+01 -0.112664D+01  0.163003D+00  0.217441D+01 -0.458744D+01
      2  -0.250019D+01 -0.466717D+01 -0.195931D+01  0.576283D+00 -0.259472D+01
      3  -0.245434D+01  0.202865D+01 -0.105874D+02  0.160531D+01  0.825887D+00
                31            32            33            34            35 
      1   0.333896D+01 -0.370897D+01  0.568114D+01 -0.309109D+01  0.126657D+02
      2  -0.508000D+00 -0.249328D+01  0.195649D+01 -0.663630D+01  0.522375D+01
      3   0.422640D+01  0.605952D+01  0.159528D+01 -0.115635D+00  0.164122D+01
                36            37            38            39            40 
      1   0.656149D+01 -0.567743D+00 -0.183844D+01 -0.240524D+00  0.133952D+01
      2   0.291234D+01 -0.225653D+00  0.142370D+01  0.627638D+01  0.818128D+00
      3   0.126842D+01  0.982487D+01 -0.271536D+01 -0.110325D+01  0.119404D+02
                41            42            43            44            45 
      1   0.194385D+01 -0.678332D+01 -0.457526D+01 -0.188701D+01  0.176104D+01
      2  -0.571831D+00 -0.632532D+00 -0.313072D+01  0.382330D+01 -0.134205D+01
      3  -0.527475D+01  0.287248D-01 -0.341009D+01  0.595385D+00 -0.271097D+00
                46            47            48            49            50 
      1   0.168888D+01 -0.992174D+00  0.155985D+01 -0.109773D+01 -0.403314D+00
      2  -0.319701D+01  0.215422D+00  0.150373D+02  0.123000D+01 -0.556997D+00
      3   0.887781D+01 -0.212160D+02 -0.671523D+00 -0.202685D+01  0.915848D+01
                51            52            53            54            55 
      1  -0.361656D+01 -0.176404D+01  0.571505D+00  0.604210D+00  0.140061D+01
      2  -0.219082D+01  0.494929D+01  0.841761D+00 -0.437451D+01 -0.361384D+00
      3   0.727009D+00 -0.551044D+00  0.472615D+01  0.279869D+01  0.134183D+02
                56            57            58            59            60 
      1  -0.146279D+01 -0.185434D+01  0.928594D-01 -0.308219D+01 -0.652170D+01
      2   0.917487D+00  0.101580D+01 -0.768895D+00 -0.649235D+00 -0.106322D+01
      3   0.336882D-01 -0.101657D+01  0.578994D+01  0.378747D+01  0.179324D+00
                61            62            63            64            65 
      1  -0.651294D+00  0.202195D+01 -0.187732D+01  0.160234D+00 -0.864421D-01
      2  -0.379440D+01  0.466802D+00 -0.121244D-01  0.224213D+01 -0.300624D+00
      3  -0.153207D+01  0.738624D-01  0.182803D+01  0.635393D+00 -0.999861D+00
                66            67            68            69            70 
      1   0.334644D+00 -0.460517D+00  0.545727D+00  0.583804D+00 -0.566437D+00
      2  -0.260068D+00 -0.108720D+01  0.486540D+00 -0.530762D-01 -0.474694D+01
      3  -0.519449D+00  0.244404D+00  0.975613D-01 -0.386144D+00 -0.897110D+00
                71            72            73            74            75 
      1   0.390315D+01  0.440614D+01  0.284313D+01 -0.177353D+01  0.299575D+01
      2   0.383916D+00  0.351663D+01  0.900344D+00 -0.813145D+00  0.209665D+01
      3  -0.867351D+00  0.742430D+00 -0.276939D+01 -0.220781D-01 -0.186387D+01
                76            77            78            79            80 
      1  -0.198445D+01  0.448951D+01 -0.552969D+01  0.311073D+01 -0.382928D+01
      2   0.243657D+00  0.184766D+01 -0.206277D+01  0.160429D-01 -0.234236D+01
      3   0.439424D+01 -0.829818D+00 -0.102791D+00 -0.384707D+01 -0.116956D+01
                81            82            83            84            85 
      1   0.565906D+01 -0.247185D+01  0.962521D-01  0.213063D+01 -0.221676D+00
      2   0.215977D+01  0.125425D+00 -0.178134D+00  0.740849D+00 -0.531921D+00
      3  -0.103487D+01 -0.145916D+01 -0.414258D+00  0.237814D+01  0.152040D+01
                86            87            88            89            90 
      1  -0.164853D+01 -0.426830D+01  0.337974D+01 -0.284230D+01 -0.116948D+02
      2  -0.819239D+00 -0.152024D+01 -0.219241D+01 -0.258251D+01 -0.448724D+01
      3  -0.120011D+01  0.425569D+00  0.558253D+01  0.101937D+01 -0.152632D+01
                91            92            93            94            95 
      1  -0.233803D+01  0.152897D+01  0.298662D+01  0.364701D+00 -0.950719D+00
      2  -0.249544D+00  0.685391D-01  0.196960D+01  0.904139D-01  0.134910D+00
      3  -0.139426D+02 -0.178586D+01  0.144963D+01  0.156871D+01 -0.285990D+01
                96            97            98            99           100 
      1  -0.140472D+01  0.965409D+00 -0.704869D+00 -0.131448D+01  0.611701D+01
      2  -0.756587D+00 -0.340917D+00 -0.899683D+00 -0.406045D+00 -0.641765D+01
      3  -0.967843D-01  0.231547D+01 -0.239562D+00 -0.538092D+00 -0.337161D+01
               101           102           103           104           105 
      1  -0.420199D+01 -0.292457D+00 -0.531878D+01 -0.898703D+01 -0.897689D+01
      2  -0.445456D+01  0.146290D+02 -0.463295D+01  0.124552D+01  0.185705D+01
      3   0.181756D+01 -0.224381D+01  0.688937D+01  0.549033D+01  0.345511D+01
               106           107           108           109           110 
      1   0.566134D+00 -0.223307D+01  0.325754D+01 -0.115602D+01  0.304823D+01
      2   0.705573D+01  0.174917D+01  0.155780D+01 -0.110876D+02  0.272901D+01
      3  -0.156818D+01  0.225918D+01 -0.199712D+01 -0.725451D+01  0.709581D+01
               111           112           113           114           115 
      1  -0.683066D+00  0.407329D+01  0.460877D+01 -0.166979D+01  0.313309D+00
      2   0.180325D+01  0.317349D+01 -0.574090D+01  0.481191D+01 -0.482964D+01
      3  -0.145407D+01  0.160643D+02  0.116719D+02  0.156889D+01 -0.197781D+01
               116           117           118           119           120 
      1   0.205096D+01 -0.358615D+01 -0.222107D+01 -0.281164D+01  0.919794D+00
      2   0.384613D+01  0.189707D+02  0.130556D+02  0.241004D+01 -0.653727D+01
      3   0.296518D+01 -0.414689D+01 -0.160956D+00 -0.876559D+00  0.337344D+00
               121           122           123           124           125 
      1  -0.128788D+01 -0.676422D+00  0.919227D+00  0.117013D+01  0.305382D+01
      2   0.292941D+01  0.213279D+01 -0.170817D+01 -0.834703D+01 -0.125176D+01
      3   0.118568D+01 -0.131282D+00 -0.981982D+00 -0.599746D-02  0.866397D-02
               126           127           128           129           130 
      1  -0.173952D+01  0.126325D+01  0.209359D+01  0.184033D+00  0.241869D+01
      2   0.682024D+01  0.337320D+00 -0.826500D+00  0.475173D-01 -0.220579D+01
      3   0.683966D-01 -0.659273D+00 -0.196538D+01 -0.346935D+00  0.815711D+00
               131           132           133           134           135 
      1   0.128645D+02  0.438747D+00  0.623780D+00  0.290415D+01  0.153158D+01
      2   0.622174D+00  0.271575D+01 -0.144600D+01  0.913513D+00  0.643199D+00
      3  -0.934851D+01 -0.276194D+01 -0.446851D-01 -0.169674D+01 -0.164410D+01
               136           137           138           139           140 
      1  -0.405720D+01  0.455352D+01 -0.116483D+01  0.331222D+01 -0.366106D+01
      2  -0.522228D+01  0.226097D+01  0.107565D+01  0.348897D+01 -0.119304D+01
      3   0.243446D+01 -0.450886D+01  0.161282D+01 -0.147186D+01  0.317742D+01
               141           142           143           144           145 
      1   0.129047D+01 -0.167580D+01  0.301107D+01 -0.201936D+01  0.509966D+00
      2  -0.140532D+01 -0.293029D+01 -0.981263D-01  0.465674D+00 -0.247585D+01
      3  -0.198771D+01  0.947439D+00 -0.182975D+01  0.181034D+01  0.918052D+00
               146           147           148           149           150 
      1   0.248836D+00  0.196845D-01 -0.203522D+00  0.643687D+00  0.287585D+00
      2  -0.398039D+00 -0.729775D+00 -0.802878D+00 -0.180123D+01 -0.282800D+01
      3  -0.841960D+00 -0.654433D-01 -0.325151D+00  0.222180D+00  0.225527D+01
               151           152           153           154           155 
      1  -0.538026D-01  0.414813D+01  0.271811D+01  0.184397D+01 -0.144436D+01
      2  -0.218922D+01 -0.197003D+01 -0.213400D+02  0.834494D+01 -0.324398D+01
      3   0.127095D+00  0.303118D+01  0.192143D+01  0.695021D+01 -0.797019D+01
               156           157           158           159           160 
      1   0.103752D+01 -0.164610D+01  0.102154D+01 -0.166854D+01  0.294383D+00
      2   0.558112D+01 -0.370185D+01  0.329627D+01 -0.443019D+01  0.319850D+01
      3   0.126198D+01 -0.549144D+01  0.586775D+01 -0.144318D+01  0.151107D+01
               161           162           163           164           165 
      1   0.192247D+00  0.915269D+00 -0.150936D+01 -0.186948D+01 -0.350323D+00
      2  -0.238896D+01  0.237945D+01  0.214128D+01  0.954223D+00  0.148499D+01
      3  -0.294888D+01  0.203859D+01 -0.315849D+01 -0.582070D+01  0.458345D+00
               166           167           168           169           170 
      1  -0.227943D+01 -0.615218D+01 -0.306709D+01 -0.802264D-01  0.342524D-02
      2   0.124699D+01  0.242964D+01  0.368807D+01  0.526466D+00  0.159654D+01
      3  -0.486688D+01 -0.182469D+02 -0.800270D-01  0.199926D+00 -0.155044D+01
               171 
      1  -0.634399D+00
      2  -0.490678D+00
      3  -0.165397D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.522811D+02 -0.233053D+00  0.118005D+01  0.134284D+02  0.106849D+02
      2   0.296997D+02  0.462037D+01 -0.388620D+01 -0.893791D+01 -0.130170D+02
      3   0.225814D+02 -0.438732D+01  0.270615D+01 -0.449051D+01  0.233216D+01
      4   0.103183D+02 -0.136414D+02 -0.109337D+00  0.993859D+00  0.715728D+01
      5   0.255261D+01  0.550296D+00 -0.148588D+02 -0.123542D+01  0.412071D+00
      6  -0.192401D+00 -0.602211D+00  0.446014D+01 -0.888286D-01 -0.298883D+00
                 6             7             8             9            10 
      1  -0.275833D+01  0.103675D+02 -0.189062D+01 -0.640197D+01 -0.162532D+01
      2   0.935247D+00 -0.751971D+01 -0.163120D+00 -0.385705D+01  0.576636D+01
      3   0.182309D+01 -0.284779D+01  0.205373D+01  0.102590D+02 -0.414104D+01
      4   0.709704D+00 -0.638798D+00  0.365207D+01  0.125765D+01 -0.227398D+01
      5   0.868496D+01  0.476468D+01 -0.124592D+00  0.671516D+01 -0.228124D+01
      6  -0.482967D+01  0.839540D+00  0.235842D+01  0.129079D+01 -0.107868D+00
                11            12            13            14            15 
      1  -0.162938D+01 -0.100844D+01  0.760930D+01  0.612725D+00  0.175679D+01
      2   0.340217D+01 -0.154222D+00 -0.397305D+01 -0.618258D+01  0.582776D+01
      3  -0.177279D+01  0.116266D+01 -0.363625D+01  0.556985D+01 -0.758455D+01
      4  -0.287373D+00  0.751505D-01 -0.475777D+01  0.639819D+00 -0.159271D+01
      5  -0.168082D+01  0.282999D+00 -0.232542D+01 -0.348585D+00  0.399369D+01
      6  -0.172006D+01  0.225018D+01 -0.134490D+01  0.104441D+01 -0.308953D+01
                16            17            18            19            20 
      1  -0.771284D+01  0.473382D+00  0.145550D+02 -0.234353D+01 -0.294591D+01
      2   0.249597D+01 -0.366999D+01  0.156537D+02 -0.440135D+01 -0.176708D+01
      3   0.521688D+01  0.319661D+01 -0.302087D+02  0.674488D+01  0.471298D+01
      4  -0.145125D+01 -0.834047D+00 -0.317641D+01 -0.399569D+01  0.525928D+01
      5   0.407298D+00 -0.118340D+01 -0.132661D+01  0.142453D+02  0.158208D+01
      6  -0.318547D+01  0.984506D+00  0.728473D+01  0.328798D+00  0.272850D+01
                21            22            23            24            25 
      1   0.981053D+01 -0.881016D+01  0.107053D+02  0.149506D+01  0.147323D+02
      2  -0.432769D+01  0.513800D+01 -0.948651D+01 -0.114641D+00 -0.606580D+01
      3  -0.548284D+01  0.367215D+01 -0.121879D+01 -0.138042D+01 -0.866654D+01
      4   0.279760D+00  0.955170D+01  0.744830D+01  0.201018D+01  0.664108D+00
      5  -0.172969D+01  0.124614D+01  0.181838D+01 -0.491977D+01 -0.220259D+01
      6  -0.250854D+01  0.180017D+01 -0.281639D+01  0.435660D+01 -0.279399D+01
                26            27            28            29            30 
      1   0.468804D+00 -0.596092D+01 -0.777218D+00 -0.825044D+01 -0.320166D+01
      2   0.809672D+00  0.483051D+01  0.778909D+00  0.130516D+02 -0.108420D+01
      3  -0.127848D+01  0.113041D+01 -0.169077D-02 -0.480120D+01  0.428586D+01
      4   0.142315D+01 -0.557616D+01 -0.325729D+01 -0.148036D+02  0.234271D+01
      5  -0.494626D+01 -0.134375D+02 -0.443493D+01  0.101011D+01 -0.713298D+01
      6   0.365482D+01 -0.159429D+01  0.649118D+00 -0.107527D+01  0.997174D+01
                31            32            33            34            35 
      1  -0.486717D+01 -0.207091D+01  0.324315D+00 -0.297535D+01  0.131376D+01
      2   0.792122D+01  0.197790D+01  0.664054D+01 -0.207418D+01  0.763145D+01
      3  -0.305405D+01  0.930036D-01 -0.696485D+01  0.504953D+01 -0.894522D+01
      4  -0.715090D+01  0.555958D+01 -0.303835D+01  0.208567D+01 -0.251692D+01
      5   0.514621D+00 -0.171216D+01  0.420843D+01 -0.476933D+01  0.874486D+01
      6  -0.323166D+01  0.840857D+01 -0.126949D+02  0.981578D+01 -0.184484D+02
                36            37            38            39            40 
      1   0.125912D+02  0.610139D+01  0.392863D+01  0.957180D+00 -0.288090D+01
      2  -0.105376D+02  0.965990D+00 -0.176804D+01  0.752549D+00  0.382957D+01
      3  -0.205357D+01 -0.706738D+01 -0.216059D+01 -0.170973D+01 -0.948668D+00
      4   0.117182D+02  0.101986D+02  0.190245D+02 -0.878692D+00  0.106113D+02
      5   0.770400D+01  0.154132D+01  0.478479D+00  0.910570D+01  0.667258D+00
      6  -0.131691D+02  0.809581D+00 -0.136177D+01 -0.131812D+01  0.503996D+00
                41            42            43            44            45 
      1  -0.170968D+02  0.150633D+01 -0.443966D+00  0.582643D+00 -0.481971D+01
      2   0.275040D+02 -0.840041D+00  0.619929D+00 -0.545289D-01  0.321194D+01
      3  -0.104073D+02 -0.666288D+00 -0.175962D+00 -0.528114D+00  0.160776D+01
      4   0.944079D+01 -0.868277D+00 -0.102479D+01 -0.166020D+01  0.565120D+01
      5   0.104974D+01 -0.256781D+01  0.317809D+01  0.405788D+01 -0.186270D+01
      6  -0.363307D+00  0.102322D+02  0.176024D+01  0.914691D+01 -0.218854D+01
                46            47            48            49            50 
      1   0.100934D+03 -0.903042D+01 -0.365530D+01 -0.115738D+02  0.760368D+01
      2  -0.577884D+02  0.479234D+01  0.307026D+01  0.683910D+01  0.686864D-01
      3  -0.431458D+02  0.423808D+01  0.585037D+00  0.473473D+01 -0.767237D+01
      4  -0.761625D+01  0.236458D+02  0.627892D+00  0.205765D+02 -0.829384D+01
      5  -0.232614D+01  0.246365D+00  0.245010D+02  0.115819D+01 -0.108584D+01
      6   0.259856D+00  0.727284D+00 -0.254068D+01 -0.741196D+00 -0.412779D+00
                51            52            53            54            55 
      1   0.103752D+01 -0.937999D+01  0.134659D+01  0.128787D+02 -0.112531D+01
      2  -0.512145D+00  0.665864D+01 -0.539216D-01 -0.116154D+02 -0.136231D+01
      3  -0.525371D+00  0.272135D+01 -0.129267D+01 -0.126324D+01  0.248762D+01
      4  -0.215637D+01  0.137425D+01 -0.346907D+01 -0.127236D+01  0.161618D+02
      5  -0.497732D+01  0.238482D+02 -0.357427D+01 -0.755384D+01  0.632232D+00
      6   0.512052D+01 -0.301852D+00  0.438329D+01 -0.723309D-02 -0.188316D+01
                56            57            58            59            60 
      1  -0.399826D+01  0.768887D+00 -0.258201D+01 -0.239395D+02 -0.144736D+01
      2   0.875687D+01  0.104542D+01  0.219729D+01  0.375273D+02 -0.451847D+01
      3  -0.475861D+01 -0.181431D+01  0.384727D+00 -0.135877D+02  0.596583D+01
      4  -0.589716D+01 -0.184912D+01  0.448204D+01 -0.260180D+01  0.151241D+01
      5  -0.115109D+01  0.264505D+01  0.744250D+00  0.274351D+00 -0.242115D+01
      6   0.692537D+00  0.179648D+01  0.144400D+01 -0.269079D+01  0.102821D+02
                61            62            63            64            65 
      1   0.387957D+00 -0.518627D+00 -0.687256D+01 -0.557000D+00  0.978857D+00
      2   0.571248D+00  0.308429D+01  0.139122D+01 -0.411842D+01 -0.541292D+00
      3  -0.959206D+00 -0.256566D+01  0.548135D+01  0.467542D+01 -0.437565D+00
      4  -0.159976D+01  0.181584D+01  0.590762D+00  0.113100D+01  0.214177D+01
      5   0.263694D+01 -0.103800D+01  0.106141D+00  0.474484D+00 -0.257776D+00
      6   0.100551D+01  0.875788D+01 -0.688591D-01 -0.145357D+01  0.191616D+00
                66            67            68            69            70 
      1   0.560547D+00 -0.133055D+00 -0.389589D+01  0.845578D+00  0.178239D+01
      2   0.570579D-02  0.495095D+00  0.518948D+00 -0.339534D+01  0.460664D+00
      3  -0.566253D+00 -0.362040D+00  0.337694D+01  0.254977D+01 -0.224306D+01
      4  -0.156025D+01  0.185934D+01  0.576660D-02  0.563586D+00 -0.150705D+01
      5   0.681198D+01  0.451033D+00  0.306445D+00  0.987178D-01  0.568315D+01
      6  -0.170948D-01  0.186890D+00 -0.183851D+01  0.664756D+01  0.752466D+00
                71            72            73            74            75 
      1   0.333219D+01 -0.213097D+02  0.678177D+00  0.308611D+01 -0.422502D+00
      2  -0.298340D+01 -0.206306D+02  0.457910D+01 -0.951740D+01  0.202684D+01
      3  -0.348788D+00  0.419403D+02 -0.525728D+01  0.643128D+01 -0.160434D+01
      4   0.160766D+01  0.175293D+01 -0.947177D+01  0.134340D+02 -0.579205D+01
      5   0.213260D+00  0.398877D+01  0.351589D+01 -0.323200D+01  0.401271D+01
      6   0.610438D+01 -0.116268D+02 -0.586938D+01  0.457607D+01 -0.492673D+01
                76            77            78            79            80 
      1   0.405316D+01 -0.147471D+02  0.505804D+01 -0.483961D+00  0.870792D+01
      2  -0.847170D+01  0.277520D+02 -0.916295D+01  0.237192D+01 -0.147524D+02
      3   0.441854D+01 -0.130048D+02  0.410491D+01 -0.188796D+01  0.604448D+01
      4   0.989385D+01 -0.144190D+02  0.502080D+01 -0.739646D+01  0.851193D+01
      5  -0.239967D+01  0.370532D+01 -0.351435D+01  0.446589D+01 -0.513841D+01
      6   0.349113D+01 -0.123738D+02  0.102444D+02 -0.604923D+01  0.146136D+02
                81            82            83            84            85 
      1  -0.782750D+01 -0.884155D+00  0.135344D+01  0.249886D+00  0.250635D+01
      2   0.752271D+01  0.266542D+00 -0.269607D+01  0.196946D+00 -0.362804D+01
      3   0.304792D+00  0.617614D+00  0.134263D+01 -0.446832D+00  0.112169D+01
      4  -0.710790D+01 -0.351184D+01  0.687006D+01  0.524094D+01  0.473751D+01
      5   0.442590D+01 -0.321585D+01  0.303227D+01  0.648215D+01  0.152291D+01
      6  -0.105605D+02  0.577187D+01 -0.249381D+01 -0.446242D+01 -0.197446D+01
                86            87            88            89            90 
      1  -0.945662D+01 -0.687789D+01  0.161694D+01 -0.116635D+02 -0.170203D+02
      2   0.110491D+02  0.623652D+01  0.103477D+01  0.868508D+01  0.344105D+01
      3  -0.159252D+01  0.641370D+00 -0.265171D+01  0.297846D+01  0.135793D+02
      4  -0.574668D+01 -0.256844D+01  0.635818D+01 -0.569307D+01 -0.761033D+01
      5  -0.293357D+01 -0.300775D+01  0.743770D+01 -0.617700D+01 -0.104482D+02
      6   0.104948D+02  0.124263D+02 -0.668535D+01  0.192657D+02  0.269086D+02
                91            92            93            94            95 
      1   0.670050D+01  0.335324D+01 -0.891875D+00 -0.949005D+00 -0.117352D+01
      2   0.332235D+01 -0.122592D+02 -0.889083D+00 -0.341625D+01  0.693770D+01
      3  -0.100229D+02  0.890596D+01  0.178096D+01  0.436525D+01 -0.576418D+01
      4  -0.225025D+02  0.184532D+02  0.252336D+01  0.839978D+01 -0.772318D+01
      5  -0.652143D+00  0.590944D+00  0.227546D+01  0.137673D+00 -0.507283D+00
      6   0.214580D+01 -0.446498D+00 -0.418860D+01 -0.642377D+00  0.429553D+00
                96            97            98            99           100 
      1   0.795165D-01 -0.359267D+00 -0.127545D+01 -0.730825D+00  0.482089D+01
      2   0.350674D+00 -0.748431D+00  0.218337D+01  0.399412D+00  0.881591D+01
      3  -0.430190D+00  0.110770D+01 -0.907916D+00  0.331413D+00 -0.136368D+02
      4  -0.890278D+00  0.328126D+01 -0.255274D+01 -0.342055D+01  0.841606D+01
      5  -0.981315D+00  0.323438D+01 -0.231493D+01 -0.863141D+00 -0.108201D+02
      6   0.231186D+01 -0.292793D+01  0.392127D+01  0.194616D+01  0.919593D+01
               101           102           103           104           105 
      1   0.886144D+01 -0.153698D+02  0.114049D+02 -0.105313D+01  0.152579D+01
      2  -0.625373D+01  0.337821D+01 -0.928330D+01 -0.264509D+00 -0.767457D+01
      3  -0.260771D+01  0.119916D+02 -0.212162D+01  0.131764D+01  0.614878D+01
      4  -0.576774D+01  0.307266D+01 -0.854086D+01 -0.116417D+02 -0.809310D+01
      5   0.952366D+01 -0.120322D+02  0.100992D+02 -0.128000D+02  0.597119D+01
      6  -0.736281D+01  0.172097D+01 -0.986325D+01 -0.130874D+02 -0.764636D+01
               106           107           108           109           110 
      1  -0.133378D+02  0.121707D+00 -0.311860D+01 -0.123070D+02  0.162190D+02
      2   0.226144D+01 -0.642405D+01 -0.666472D+01  0.123477D+01 -0.933351D+01
      3   0.110764D+02  0.630235D+01  0.978332D+01  0.110722D+02 -0.688546D+01
      4   0.226530D+01 -0.460795D+01  0.565328D+01  0.162132D+02 -0.159957D+02
      5  -0.106284D+02  0.528534D+01  0.128262D+02 -0.170216D+02 -0.645960D+00
      6   0.228384D+01 -0.554024D+01  0.722031D+01 -0.386678D+01  0.281637D+01
               111           112           113           114           115 
      1  -0.150777D+02  0.214262D+02 -0.156508D+02  0.437978D+01 -0.203184D+02
      2   0.909163D+01 -0.148854D+02  0.342112D+00  0.326450D+00  0.869081D+01
      3   0.598606D+01 -0.654083D+01  0.153087D+02 -0.470623D+01  0.116276D+02
      4   0.135358D+01 -0.234858D+02 -0.229681D+02 -0.364068D+01  0.251362D+01
      5   0.829547D+01 -0.590667D+00 -0.206071D+01  0.695519D+01  0.611377D+01
      6   0.466308D+00  0.479012D+01  0.505359D+01  0.143990D+01  0.786305D+00
               116           117           118           119           120 
      1   0.518223D+01  0.146161D+02 -0.762585D+01 -0.224805D+01  0.132990D+02
      2  -0.120572D+01  0.700459D+01 -0.298514D+01  0.489216D+00  0.519004D+01
      3  -0.397651D+01 -0.216207D+02  0.106110D+02  0.175883D+01 -0.184891D+02
      4  -0.615439D+01  0.777978D+01 -0.131508D+01  0.942509D+00  0.226795D+00
      5   0.658369D+01  0.240622D+02 -0.106183D+02 -0.271347D+01  0.632723D+01
      6   0.157300D+01 -0.228962D+01 -0.293563D+01 -0.389279D+01  0.141592D+01
               121           122           123           124           125 
      1  -0.328427D+01 -0.334364D+01  0.317525D+01  0.924005D+01  0.182639D+01
      2   0.126922D+01  0.463596D+00  0.190889D+01  0.280922D+01  0.149939D+01
      3   0.201505D+01  0.288005D+01 -0.508414D+01 -0.120493D+02 -0.332577D+01
      4   0.204533D+01  0.110628D+01  0.896361D+00  0.430766D+00  0.548455D+00
      5  -0.295198D+01 -0.229819D+00 -0.603372D+00  0.788027D+01  0.337450D+00
      6  -0.244838D+01 -0.109767D+01  0.600876D+01  0.134515D+01  0.473940D+01
               126           127           128           129           130 
      1  -0.140714D+02  0.134665D+01  0.140551D+01  0.204444D+01  0.192871D+01
      2  -0.749116D+01 -0.881538D+00  0.596724D+00 -0.108234D+01  0.214826D+00
      3   0.215625D+02 -0.465110D+00 -0.200224D+01 -0.962100D+00 -0.214354D+01
      4  -0.100331D+01  0.415168D+01  0.762054D+01  0.200668D+01  0.935848D+01
      5  -0.488315D+01  0.453227D+01  0.351690D+01  0.528694D+01  0.629141D+01
      6  -0.255092D+01  0.269710D+01  0.445169D+01  0.182812D+01  0.653348D+01
               131           132           133           134           135 
      1  -0.869370D+01 -0.635305D+01  0.638351D+00 -0.412042D+01 -0.390147D+01
      2   0.129498D+02 -0.188971D+00 -0.916686D+00  0.153846D+00  0.291067D+00
      3  -0.425611D+01  0.654202D+01  0.278335D+00  0.396658D+01  0.361040D+01
      4   0.193154D+02  0.718505D+01  0.734270D+00  0.350094D+01  0.310001D+01
      5   0.963076D+01  0.790082D+01  0.389945D+01  0.353955D+01  0.230406D+01
      6   0.241464D+02  0.127353D+02  0.168297D+01  0.941099D+01  0.594535D+01
               136           137           138           139           140 
      1   0.184810D+02 -0.541279D+01  0.556191D+01 -0.754482D+01  0.198810D+01
      2  -0.166201D+02  0.414077D+01 -0.109395D+02  0.613076D+01 -0.131949D+01
      3  -0.186089D+01  0.127202D+01  0.537757D+01  0.141406D+01 -0.668607D+00
      4  -0.816835D+01  0.807783D+01 -0.389000D+01  0.876603D+01 -0.721276D+01
      5   0.246368D+02 -0.855429D+01  0.194726D+02 -0.121829D+02  0.941382D+01
      6  -0.727244D+01  0.743234D+01 -0.451719D+01  0.770108D+01 -0.690584D+01
               141           142           143           144           145 
      1   0.310796D+00  0.356403D+01  0.363495D+00  0.308637D+00 -0.695939D-02
      2   0.584607D+01 -0.767101D+01  0.355228D+01 -0.898044D+01 -0.202146D+01
      3  -0.615686D+01  0.410697D+01 -0.391577D+01  0.867181D+01  0.202842D+01
      4   0.570183D+01 -0.257267D+01  0.325079D+01 -0.416261D+01 -0.207845D+01
      5  -0.104770D+02  0.143699D+02 -0.600517D+01  0.133155D+02 -0.185320D+01
      6   0.755848D+01 -0.390400D+01  0.516657D+01 -0.576137D+01  0.661553D+00
               146           147           148           149           150 
      1  -0.239433D+01 -0.467640D+01 -0.399925D+01 -0.658070D+00 -0.186709D+01
      2   0.136667D+01  0.146633D+01  0.279873D+01 -0.596690D+00 -0.163457D+01
      3   0.102766D+01  0.321006D+01  0.120053D+01  0.125476D+01  0.350166D+01
      4   0.174178D+01 -0.147485D+00  0.410664D+01  0.326740D+00 -0.435307D+01
      5   0.574805D+00  0.405414D+01  0.194998D+01 -0.401521D+01 -0.493961D+01
      6   0.495308D+00  0.256231D-01 -0.111208D+01  0.128623D+01  0.612029D+01
               151           152           153           154           155 
      1  -0.653518D+01 -0.172531D+01 -0.148086D+02  0.515270D+02 -0.153917D+02
      2   0.659435D+01 -0.874775D+00 -0.186407D+02 -0.240641D+02  0.635894D+01
      3  -0.591656D-01  0.260008D+01  0.334494D+02 -0.274629D+02  0.903279D+01
      4  -0.638099D+00 -0.517624D+01 -0.351036D+01 -0.167193D+02  0.146122D+02
      5   0.120823D+02 -0.274033D+01 -0.381976D+02 -0.164721D-01 -0.358369D+00
      6   0.216972D+00  0.600497D+01  0.413218D+00  0.258880D+01 -0.241527D+01
               156           157           158           159           160 
      1   0.616557D+01 -0.239964D+02  0.122459D+02 -0.224326D+01  0.155548D+02
      2  -0.211976D+01  0.103221D+02 -0.175805D+01 -0.323180D+00 -0.692179D+01
      3  -0.404581D+01  0.136744D+02 -0.104879D+02  0.256645D+01 -0.863303D+01
      4  -0.218665D+01  0.186038D+02 -0.122367D+02  0.265699D+01 -0.431274D+01
      5   0.716352D+01  0.946317D+00  0.989516D+00 -0.642303D+01  0.720448D+01
      6  -0.253359D+00 -0.250597D+01  0.104683D+01  0.123734D+01 -0.672032D+00
               161           162           163           164           165 
      1  -0.349824D+01  0.450318D+01  0.121872D+02  0.647567D+01  0.124135D+01
      2   0.778184D+00 -0.403811D+01 -0.280857D+01 -0.503154D+00 -0.508839D+00
      3   0.272006D+01 -0.465071D+00 -0.937867D+01 -0.597252D+01 -0.732507D+00
      4   0.533369D+01 -0.442446D+01  0.991543D+01  0.150036D+02 -0.500932D+00
      5  -0.414569D+01  0.300901D+01 -0.739106D+00 -0.167711D+01  0.198678D+01
      6   0.705240D+00 -0.292608D+00 -0.152719D+01 -0.274123D+01  0.797252D+00
               166           167           168           169           170 
      1   0.112001D+02  0.431653D+01 -0.504448D+00  0.489455D+01  0.416416D+00
      2  -0.432737D+00  0.127789D+02  0.140610D+01 -0.141922D+01  0.124768D+01
      3  -0.107673D+02 -0.170955D+02 -0.901651D+00 -0.347533D+01 -0.166410D+01
      4   0.223819D+02  0.374394D+02 -0.903853D+00  0.143419D+01  0.302010D+01
      5  -0.404288D+01 -0.190727D+01  0.701947D+01  0.282661D+01  0.422167D+01
      6  -0.434597D+01 -0.919004D+01  0.448882D+01  0.162671D+01  0.363163D+01
               171 
      1  -0.124255D+01
      2   0.762106D-01
      3   0.116634D+01
      4   0.376066D+01
      5  -0.173221D+01
      6  -0.642859D-01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.142388D+01      0.361915D+01      0.120722D+02
   x          0.135843D+01      0.345279D+01      0.115173D+02
   y         -0.317516D+00     -0.807046D+00     -0.269202D+01
   z         -0.285117D+00     -0.724696D+00     -0.241732D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.774738D+02      0.114804D+02      0.127737D+02
   aniso      0.181487D+02      0.268936D+01      0.299231D+01
   xx         0.874530D+02      0.129592D+02      0.144191D+02
   yx        -0.441639D+01     -0.654442D+00     -0.728165D+00
   yy         0.759243D+02      0.112508D+02      0.125182D+02
   zx        -0.164996D+01     -0.244499D+00     -0.272041D+00
   zy         0.102113D+01      0.151316D+00      0.168362D+00
   zz         0.690442D+02      0.102313D+02      0.113839D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.819389D+02      0.121421D+02      0.135099D+02
   aniso      0.189819D+02      0.281283D+01      0.312969D+01
   xx         0.924328D+02      0.136971D+02      0.152401D+02
   yx        -0.440437D+01     -0.652660D+00     -0.726183D+00
   yy         0.804340D+02      0.119191D+02      0.132618D+02
   zx        -0.184821D+01     -0.273876D+00     -0.304728D+00
   zy         0.835018D+00      0.123737D+00      0.137676D+00
   zz         0.729501D+02      0.108101D+02      0.120278D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.94103562          0.86388277         -2.35731975
     6         -0.86959382         -1.33509449         -0.51013114
     6          0.45218469         -0.16747517          1.79877613
     6         -0.65426591          2.51819149          1.61728031
     8         -0.92373926          3.05279597         -1.06020152
     8         -0.96263266          0.71670742         -4.61712433
     8          0.28753686         -3.48191667         -1.53686852
     1         -2.84421426         -1.75092919          0.00360528
     1          0.57324430          3.96495452          2.40928737
     1         -2.51950098          2.64792166          2.49151109
     1          0.19548180         -3.32322763         -3.35795928
     6          3.31902160         -0.11001603          1.41659827
     6         -0.23119251         -1.46218598          4.27766233
     1          3.84121063          0.89851406         -0.30523719
     1          4.06280593         -2.02237814          1.27290475
     1          4.22411125          0.83408465          3.01124771
     1         -2.27539114         -1.53576762          4.54844518
     1          0.59446717         -0.46386802          5.88455571
     1          0.48775168         -3.39383512          4.29799428

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.142388D+01      0.361915D+01      0.120722D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.142388D+01      0.361915D+01      0.120722D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.774738D+02      0.114804D+02      0.127737D+02
   aniso      0.181487D+02      0.268936D+01      0.299231D+01
   xx         0.695417D+02      0.103050D+02      0.114659D+02
   yx        -0.149906D+01     -0.222138D+00     -0.247162D+00
   yy         0.741375D+02      0.109860D+02      0.122236D+02
   zx         0.178819D+01      0.264983D+00      0.294833D+00
   zy         0.195757D+01      0.290082D+00      0.322759D+00
   zz         0.887423D+02      0.131503D+02      0.146316D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.819389D+02      0.121421D+02      0.135099D+02
   aniso      0.189819D+02      0.281283D+01      0.312969D+01
   xx         0.733759D+02      0.108732D+02      0.120981D+02
   yx        -0.146513D+01     -0.217110D+00     -0.241568D+00
   yy         0.787312D+02      0.116668D+02      0.129810D+02
   zx         0.188865D+01      0.279869D+00      0.311397D+00
   zy         0.181885D+01      0.269525D+00      0.299888D+00
   zz         0.937096D+02      0.138863D+02      0.154506D+02

 ----------------------------------------------------------------------
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 A warm smile is the universal language of kindness.
                             -- William Arthur Ward
 Job cpu time:       0 days  2 hours 30 minutes 17.0 seconds.
 Elapsed time:       0 days  0 hours 18 minutes 56.0 seconds.
 File lengths (MBytes):  RWF=    230 Int=      0 D2E=      0 Chk=     11 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 16 13:29:02 2021.
